N-(2-chlorophenyl)-1-methylindole-5-carboxamide

C16H13ClN2O — CID 112520448

IUPACN-(2-chlorophenyl)-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccccc3Cl)ccc21
InChIInChI=1S/C16H13ClN2O/c1-19-9-8-11-10-12(6-7-15(11)19)16(20)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,20)
InChIKeyZLLFWHFEEIXINO-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.08
Rot. Bonds2

About N-(2-chlorophenyl)-1-methylindole-5-carboxamide

N-(2-chlorophenyl)-1-methylindole-5-carboxamide (PubChem CID 112520448) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methylindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methylindole-5-carboxamide
PubChem CID112520448
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-(2-chlorophenyl)-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccccc3Cl)ccc21
InChIInChI=1S/C16H13ClN2O/c1-19-9-8-11-10-12(6-7-15(11)19)16(20)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,20)
InChIKeyZLLFWHFEEIXINO-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
2-[(1-methylindole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 118985862
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
2-methyl-1-(1-methylindol-5-yl)propan-1-one
CID 83388491
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
CID 71704555
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(2-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600737
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methylindole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methylindole-5-carboxamide (CID 112520448) is N-(2-chlorophenyl)-1-methylindole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methylindole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methylindole-5-carboxamide is Cn1ccc2cc(C(=O)Nc3ccccc3Cl)ccc21.
What is the InChIKey of N-(2-chlorophenyl)-1-methylindole-5-carboxamide?
The InChIKey is ZLLFWHFEEIXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-19-9-8-11-10-12(6-7-15(11)19)16(20)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-1-methylindole-5-carboxamide?
N-(2-chlorophenyl)-1-methylindole-5-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methylindole-5-carboxamide is sourced from PubChem (CID 112520448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).