7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

C17H15ClN2O — CID 108791679

IUPAC7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-5-7-12(8-6-11)10-19-17(21)15-9-13-3-2-4-14(18)16(13)20-15/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyGCEXTSRPZFMLIF-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.06
Rot. Bonds3

About 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 108791679) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID108791679
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-5-7-12(8-6-11)10-19-17(21)15-9-13-3-2-4-14(18)16(13)20-15/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyGCEXTSRPZFMLIF-UHFFFAOYSA-N
XLogP4.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-indole-2-carboxamide
CID 108736272
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 108791679) is 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is Cc1ccc(CNC(=O)c2cc3cccc(Cl)c3[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GCEXTSRPZFMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-5-7-12(8-6-11)10-19-17(21)15-9-13-3-2-4-14(18)16(13)20-15/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).