1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide

2.1.2 InChI

InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)

2.1.3 InChI Key

ADHFMENDOUEJRK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=CC=C(C=C4)F)C(=O)NO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydroxamic Acid

2. Pica

3. Schembl5851593

4. Q27468129

5. 9h-pyrido[3,4-b]indole-3-carboxamide, 9-[(4-fluorophenyl)methyl]-n-hydroxy-

6. Zzw

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₄FN₃O₂
Molecular Weight	335.3 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	335.10700486 g/mol
Monoisotopic Mass	335.10700486 g/mol
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	483
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

PACA