4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide

C18H10ClFN2OS — CID 17285013

IUPAC4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClFN2OS/c19-13-5-1-12(2-6-13)17(23)22-18-15(9-21)16(10-24-18)11-3-7-14(20)8-4-11/h1-8,10H,(H,22,23)
InChIKeyJTMWUVWKJGFMAP-UHFFFAOYSA-N
MW356.81 g/mol
LogP5.33
Rot. Bonds3

About 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide

4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide (PubChem CID 17285013) has the molecular formula C18H10ClFN2OS and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
PubChem CID17285013
Molecular FormulaC18H10ClFN2OS
Molecular Weight356.81 g/mol
Exact Mass356.02
IUPAC Name4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClFN2OS/c19-13-5-1-12(2-6-13)17(23)22-18-15(9-21)16(10-24-18)11-3-7-14(20)8-4-11/h1-8,10H,(H,22,23)
InChIKeyJTMWUVWKJGFMAP-UHFFFAOYSA-N
XLogP5.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.81
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide (CID 17285013) is 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide is N#Cc1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide?
The InChIKey is JTMWUVWKJGFMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2OS/c19-13-5-1-12(2-6-13)17(23)22-18-15(9-21)16(10-24-18)11-3-7-14(20)8-4-11/h1-8,10H,(H,22,23).
What are the key properties of 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide?
4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 17285013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).