1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide

C17H13ClN2O2 — CID 113207934

IUPAC1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-11(21)20-10-15(14-7-2-3-8-16(14)20)17(22)19-13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,22)
InChIKeyIKRFWPAOGCMXRK-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.21
Rot. Bonds2

About 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide

1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide (PubChem CID 113207934) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
PubChem CID113207934
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-11(21)20-10-15(14-7-2-3-8-16(14)20)17(22)19-13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,22)
InChIKeyIKRFWPAOGCMXRK-UHFFFAOYSA-N
XLogP4.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213189
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide (CID 113207934) is 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide?
The InChIKey is IKRFWPAOGCMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(21)20-10-15(14-7-2-3-8-16(14)20)17(22)19-13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide?
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide is sourced from PubChem (CID 113207934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).