1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-chloro-N,3-dimethylbenzamide

2.1.2 InChI

InChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)

2.1.3 InChI Key

WOBVZGBINMTNKL-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 890707-28-5

2. Mfcd09030601

3. Dtxsid60648664

4. Benzamide, 2-amino-5-chloro-n,3-dimethyl-

5. Schembl384330

6. Dtxcid50599414

7. Wobvzgbinmtnkl-uhfffaoysa-n

8. Akos015890452

9. 2-amino-5-chloro-3,n-dimethylbenzamide

10. 2-amino-5-chloro-3,n-dimethyl-benzamide

11. As-63512

12. Sy317109

13. Cs-0153114

14. Ns00132692

15. C76993

16. En300-1588146

17. J-507933

2.3 Create Date

2008-12-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁ClN₂O
Molecular Weight	198.65 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.1
Heavy Atom Count	13
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS No 890707-28-5