N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide

C17H15ClN2O — CID 113205562

IUPACN-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)20-17(21)13-9-19-15-6-4-3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyMQGYCJIYFSXPFA-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.69
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide (PubChem CID 113205562) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
PubChem CID113205562
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)20-17(21)13-9-19-15-6-4-3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyMQGYCJIYFSXPFA-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-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206980
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43989177
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 47113057
N-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 115572262

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide (CID 113205562) is N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide is Cc1cc(C)c(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide?
The InChIKey is MQGYCJIYFSXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-7-11(2)16(14(18)8-10)20-17(21)13-9-19-15-6-4-3-5-12(13)15/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-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-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113205562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).