6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide

C18H17ClN2O — CID 113205333

IUPAC6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2cc(Cl)ccc2c1C)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-3-21(14-7-5-4-6-8-14)18(22)17-12(2)15-10-9-13(19)11-16(15)20-17/h4-11,20H,3H2,1-2H3
InChIKeyODMQOIBHCAAYPB-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide

6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide (PubChem CID 113205333) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
PubChem CID113205333
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2cc(Cl)ccc2c1C)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-3-21(14-7-5-4-6-8-14)18(22)17-12(2)15-10-9-13(19)11-16(15)20-17/h4-11,20H,3H2,1-2H3
InChIKeyODMQOIBHCAAYPB-UHFFFAOYSA-N
XLogP4.80
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279
N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
CID 113205033
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665
ethyl 5-[ethyl(phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46545897
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
6-chloro-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 90083235
5-chloro-3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 6621510
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
5-chloro-3-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-1H-indole-2-carboxylic acid
CID 15997215

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide (CID 113205333) is 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide is CCN(C(=O)c1[nH]c2cc(Cl)ccc2c1C)c1ccccc1.
What is the InChIKey of 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is ODMQOIBHCAAYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-3-21(14-7-5-4-6-8-14)18(22)17-12(2)15-10-9-13(19)11-16(15)20-17/h4-11,20H,3H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide?
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).