2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide

C17H15ClN2O — CID 1477203

IUPAC2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-7-9-12(10-8-11)19-17(21)15-13-5-3-4-6-14(13)20(2)16(15)18/h3-10H,1-2H3,(H,19,21)
InChIKeyKYHTWKCDLVOIBX-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.39
Rot. Bonds2

About 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide

2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide (PubChem CID 1477203) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide
PubChem CID1477203
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-7-9-12(10-8-11)19-17(21)15-13-5-3-4-6-14(13)20(2)16(15)18/h3-10H,1-2H3,(H,19,21)
InChIKeyKYHTWKCDLVOIBX-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide?
The IUPAC name of 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide (CID 1477203) is 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide.
What is the SMILES notation for 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide?
The canonical SMILES for 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide is Cc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1.
What is the InChIKey of 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide?
The InChIKey is KYHTWKCDLVOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-7-9-12(10-8-11)19-17(21)15-13-5-3-4-6-14(13)20(2)16(15)18/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide?
2-chloro-1-methyl-N-(4-methylphenyl)indole-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 2-chloro-1-methyl-N-(4-methylphenyl)indole-3-carboxamide is sourced from PubChem (CID 1477203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).