7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide

C16H10ClN3O — CID 108791683

IUPAC7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C16H10ClN3O/c17-13-3-1-2-11-8-14(20-15(11)13)16(21)19-12-6-4-10(9-18)5-7-12/h1-8,20H,(H,19,21)
InChIKeyRMUCTTMIGDGLRL-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.95
Rot. Bonds2

About 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide

7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide (PubChem CID 108791683) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
PubChem CID108791683
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1
InChIInChI=1S/C16H10ClN3O/c17-13-3-1-2-11-8-14(20-15(11)13)16(21)19-12-6-4-10(9-18)5-7-12/h1-8,20H,(H,19,21)
InChIKeyRMUCTTMIGDGLRL-UHFFFAOYSA-N
XLogP3.95
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
CID 108791740
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-1H-indole-2-carboxamide
CID 108737124
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide (CID 108791683) is 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1.
What is the InChIKey of 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The InChIKey is RMUCTTMIGDGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-13-3-1-2-11-8-14(20-15(11)13)16(21)19-12-6-4-10(9-18)5-7-12/h1-8,20H,(H,19,21).
What are the key properties of 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108791683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).