7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide

C13H15ClN2O — CID 110848308

IUPAC7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(2)7-15-13(17)11-6-9-4-3-5-10(14)12(9)16-11/h3-6,8,16H,7H2,1-2H3,(H,15,17)
InChIKeyLHJVBEAVZLHUDP-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.21
Rot. Bonds3

About 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide

7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide (PubChem CID 110848308) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
PubChem CID110848308
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(2)7-15-13(17)11-6-9-4-3-5-10(14)12(9)16-11/h3-6,8,16H,7H2,1-2H3,(H,15,17)
InChIKeyLHJVBEAVZLHUDP-UHFFFAOYSA-N
XLogP3.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834914
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide (CID 110848308) is 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide is CC(C)CNC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide?
The InChIKey is LHJVBEAVZLHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(2)7-15-13(17)11-6-9-4-3-5-10(14)12(9)16-11/h3-6,8,16H,7H2,1-2H3,(H,15,17).
What are the key properties of 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide?
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110848308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).