7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide

C19H19ClN2O — CID 108791658

IUPAC7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-3-12-7-5-8-13(4-2)17(12)22-19(23)16-11-14-9-6-10-15(20)18(14)21-16/h5-11,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyUEXWTLAFBJYZAU-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.20
Rot. Bonds4

About 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide

7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide (PubChem CID 108791658) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
PubChem CID108791658
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-3-12-7-5-8-13(4-2)17(12)22-19(23)16-11-14-9-6-10-15(20)18(14)21-16/h5-11,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyUEXWTLAFBJYZAU-UHFFFAOYSA-N
XLogP5.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 108745567
7-chloro-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 108804025
7-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 108791790
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 108804079
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide (CID 108791658) is 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide?
The InChIKey is UEXWTLAFBJYZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-12-7-5-8-13(4-2)17(12)22-19(23)16-11-14-9-6-10-15(20)18(14)21-16/h5-11,21H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide?
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108791658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).