N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide

C17H13ClN2O2 — CID 113205903

IUPACN-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C17H13ClN2O2/c1-10(21)11-3-2-4-13(7-11)20-17(22)15-9-19-16-6-5-12(18)8-14(15)16/h2-9,19H,1H3,(H,20,22)
InChIKeyFMFULHFBKLZVGP-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.28
Rot. Bonds3

About N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide

N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide (PubChem CID 113205903) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
PubChem CID113205903
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C17H13ClN2O2/c1-10(21)11-3-2-4-13(7-11)20-17(22)15-9-19-16-6-5-12(18)8-14(15)16/h2-9,19H,1H3,(H,20,22)
InChIKeyFMFULHFBKLZVGP-UHFFFAOYSA-N
XLogP4.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208859
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide (CID 113205903) is N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide?
The InChIKey is FMFULHFBKLZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10(21)11-3-2-4-13(7-11)20-17(22)15-9-19-16-6-5-12(18)8-14(15)16/h2-9,19H,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide?
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide is sourced from PubChem (CID 113205903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).