7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide

C17H16ClN3O — CID 108791753

IUPAC7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)c1
InChIInChI=1S/C17H16ClN3O/c1-21(2)13-7-4-6-12(10-13)19-17(22)15-9-11-5-3-8-14(18)16(11)20-15/h3-10,20H,1-2H3,(H,19,22)
InChIKeyACQXVEVUWBWGBE-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.14
Rot. Bonds3

About 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide

7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 108791753) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID108791753
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)c1
InChIInChI=1S/C17H16ClN3O/c1-21(2)13-7-4-6-12(10-13)19-17(22)15-9-11-5-3-8-14(18)16(11)20-15/h3-10,20H,1-2H3,(H,19,22)
InChIKeyACQXVEVUWBWGBE-UHFFFAOYSA-N
XLogP4.14
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 108791790
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide (CID 108791753) is 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide is CN(C)c1cccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)c1.
What is the InChIKey of 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is ACQXVEVUWBWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21(2)13-7-4-6-12(10-13)19-17(22)15-9-11-5-3-8-14(18)16(11)20-15/h3-10,20H,1-2H3,(H,19,22).
What are the key properties of 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide?
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).