2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C16H10ClFN2OS — CID 17443715

IUPAC2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10ClFN2OS/c17-14-9-11(18)3-6-13(14)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21)
InChIKeyXLSMEPKVXZSDAJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.85
Rot. Bonds3

About 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 17443715) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID17443715
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC Name2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10ClFN2OS/c17-14-9-11(18)3-6-13(14)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21)
InChIKeyXLSMEPKVXZSDAJ-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
CID 10193406
2-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]-1,3-Thiazole-5-Carboxamide
CID 49326850
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119113
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10002834
2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630085
2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 17443715) is 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is XLSMEPKVXZSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-14-9-11(18)3-6-13(14)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21).
What are the key properties of 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17443715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).