N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide

C17H15ClN2O — CID 40716876

IUPACN-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11-7-8-12(18)9-15(11)19-17(21)14-10-20(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,19,21)
InChIKeyJOSONFXFNHQODX-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.39
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide (PubChem CID 40716876) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
PubChem CID40716876
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11-7-8-12(18)9-15(11)19-17(21)14-10-20(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,19,21)
InChIKeyJOSONFXFNHQODX-UHFFFAOYSA-N
XLogP4.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
CID 87065455
CID 87065455
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide (CID 40716876) is N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide?
The InChIKey is JOSONFXFNHQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-7-8-12(18)9-15(11)19-17(21)14-10-20(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 40716876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).