N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide

C17H15ClN2O — CID 2742882

IUPACN-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)12-9-16(19-15(12)8-10)17(21)20-14-6-4-3-5-13(14)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyOLFVQNSUGILZSY-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.69
Rot. Bonds2

About N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide

N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 2742882) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID2742882
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)12-9-16(19-15(12)8-10)17(21)20-14-6-4-3-5-13(14)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyOLFVQNSUGILZSY-UHFFFAOYSA-N
XLogP4.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 35932108
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
4,6-dimethyl-N-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46976556
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 60571067
1-benzyl-3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1462521
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134048899
4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 29370625
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663539
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 2742882) is N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3ccccc3Cl)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is OLFVQNSUGILZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-7-11(2)12-9-16(19-15(12)8-10)17(21)20-14-6-4-3-5-13(14)18/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2742882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).