3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide

C13H8ClFN2OS — CID 103401716

IUPAC3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(F)cc2C#N)c1Cl
InChIInChI=1S/C13H8ClFN2OS/c1-7-6-19-12(11(7)14)13(18)17-10-3-2-9(15)4-8(10)5-16/h2-4,6H,1H3,(H,17,18)
InChIKeyPXSKHFUSRDEERP-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.97
Rot. Bonds2

About 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 103401716) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID103401716
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(F)cc2C#N)c1Cl
InChIInChI=1S/C13H8ClFN2OS/c1-7-6-19-12(11(7)14)13(18)17-10-3-2-9(15)4-8(10)5-16/h2-4,6H,1H3,(H,17,18)
InChIKeyPXSKHFUSRDEERP-UHFFFAOYSA-N
XLogP3.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 79954018
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
3-chloro-N-[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103405046
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-chloro-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404080
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide (CID 103401716) is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(F)cc2C#N)c1Cl.
What is the InChIKey of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is PXSKHFUSRDEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c1-7-6-19-12(11(7)14)13(18)17-10-3-2-9(15)4-8(10)5-16/h2-4,6H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).