2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide

C17H12ClN3O — CID 110864641

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClN3O/c18-13-5-6-14-12(10-20-16(14)8-13)7-17(22)21-15-4-2-1-3-11(15)9-19/h1-6,8,10,20H,7H2,(H,21,22)
InChIKeyIHMYLTCEJQZANH-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.87
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide (PubChem CID 110864641) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
PubChem CID110864641
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClN3O/c18-13-5-6-14-12(10-20-16(14)8-13)7-17(22)21-15-4-2-1-3-11(15)9-19/h1-6,8,10,20H,7H2,(H,21,22)
InChIKeyIHMYLTCEJQZANH-UHFFFAOYSA-N
XLogP3.87
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
CID 86885238
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(3-chlorophenyl)-N'-(2-cyanophenyl)propanediamide
CID 108955002
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide (CID 110864641) is 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide?
The InChIKey is IHMYLTCEJQZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-13-5-6-14-12(10-20-16(14)8-13)7-17(22)21-15-4-2-1-3-11(15)9-19/h1-6,8,10,20H,7H2,(H,21,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide has a molecular weight of 309.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 110864641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).