5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide

C14H10ClFN2OS — CID 18089620

IUPAC5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
SMILESCc1sc(NC(=O)c2cc(Cl)ccc2F)c(C#N)c1C
InChIInChI=1S/C14H10ClFN2OS/c1-7-8(2)20-14(11(7)6-17)18-13(19)10-5-9(15)3-4-12(10)16/h3-5H,1-2H3,(H,18,19)
InChIKeyFGRNUJGFNAHKNS-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.28
Rot. Bonds2

About 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide

5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide (PubChem CID 18089620) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
PubChem CID18089620
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC Name5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
SMILESCc1sc(NC(=O)c2cc(Cl)ccc2F)c(C#N)c1C
InChIInChI=1S/C14H10ClFN2OS/c1-7-8(2)20-14(11(7)6-17)18-13(19)10-5-9(15)3-4-12(10)16/h3-5H,1-2H3,(H,18,19)
InChIKeyFGRNUJGFNAHKNS-UHFFFAOYSA-N
XLogP4.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
CID 115745600
2,4-dichloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589319
1-(3-chlorophenyl)-3-(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 3347051
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 82812379
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide
CID 75403159
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2171070
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
CID 43981400

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide (CID 18089620) is 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide is Cc1sc(NC(=O)c2cc(Cl)ccc2F)c(C#N)c1C.
What is the InChIKey of 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide?
The InChIKey is FGRNUJGFNAHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-7-8(2)20-14(11(7)6-17)18-13(19)10-5-9(15)3-4-12(10)16/h3-5H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide?
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide has a molecular weight of 308.77 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 18089620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).