N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide

C16H9ClN2OS — CID 103811101

IUPACN-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,9H,(H,19,20)
InChIKeyVCPXDZGBCQHYHP-UHFFFAOYSA-N
MW312.78 g/mol
LogP4.68
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide

N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide (PubChem CID 103811101) has the molecular formula C16H9ClN2OS and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
PubChem CID103811101
Molecular FormulaC16H9ClN2OS
Molecular Weight312.78 g/mol
Exact Mass312.01
IUPAC NameN-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,9H,(H,19,20)
InChIKeyVCPXDZGBCQHYHP-UHFFFAOYSA-N
XLogP4.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(4-chloro-3-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 112805668
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
CID 107809699
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide (CID 103811101) is N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide is N#Cc1ccc(NC(=O)c2csc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is VCPXDZGBCQHYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,9H,(H,19,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide?
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 312.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 103811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).