5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H10ClF4NO — CID 25403062

IUPAC5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClF4NO/c16-11-5-6-13(17)12(7-11)14(22)21-8-9-1-3-10(4-2-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyDXHGFLNLOYKRCI-UHFFFAOYSA-N
MW331.70 g/mol
LogP4.43
Rot. Bonds3

About 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 25403062) has the molecular formula C15H10ClF4NO and a molecular weight of 331.70 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID25403062
Molecular FormulaC15H10ClF4NO
Molecular Weight331.70 g/mol
Exact Mass331.04
IUPAC Name5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClF4NO/c16-11-5-6-13(17)12(7-11)14(22)21-8-9-1-3-10(4-2-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyDXHGFLNLOYKRCI-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
(2S)-2-[[4-fluoro-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11567447
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 86669516
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 25403062) is 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is DXHGFLNLOYKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO/c16-11-5-6-13(17)12(7-11)14(22)21-8-9-1-3-10(4-2-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 331.70 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25403062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).