1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-N-[cyano(ethoxy)methyl]benzamide

2.1.2 InChI

InChI=1S/C11H11ClN2O2/c1-2-16-10(7-13)14-11(15)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3,(H,14,15)

2.1.3 InChI Key

NNPRCLUGHFXSOU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(C#N)NC(=O)C1=CC=C(C=C1)Cl

2.2 Other Identifiers

2.2.1 UNII

4N3UGZ7Z2B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Zarilamide

2. Zarilamid [iso]

3. 84527-51-5

4. 4-chloro-n-[cyano(ethoxy)methyl]benzamide

5. 4-chloro-n-(cyanoethoxymethyl)benzamide

6. 4n3ugz7z2b

7. Benzamide, 4-chloro-n-(cyanoethoxymethyl)-

8. (rs)-4-chloro-n-(cyano(ethoxy)methyl)benzamide

9. Unii-4n3ugz7z2b

10. Ici-a 0001

11. Pp 001

12. Schembl68374

13. Dtxsid60868820

14. Q27260190

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁ClN₂O₂
Molecular Weight	238.67 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	238.0509053 g/mol
Monoisotopic Mass	238.0509053 g/mol
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Zarilamid