N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide

C14H8ClF4NO — CID 2083480

IUPACN-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8ClF4NO/c15-11-7-10(5-6-12(11)16)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyAKNAFUNUFLXKRS-UHFFFAOYSA-N
MW317.67 g/mol
LogP4.75
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide

N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 2083480) has the molecular formula C14H8ClF4NO and a molecular weight of 317.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
PubChem CID2083480
Molecular FormulaC14H8ClF4NO
Molecular Weight317.67 g/mol
Exact Mass317.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8ClF4NO/c15-11-7-10(5-6-12(11)16)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyAKNAFUNUFLXKRS-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
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N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
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3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
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N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
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4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide (CID 2083480) is N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is AKNAFUNUFLXKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO/c15-11-7-10(5-6-12(11)16)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide?
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 317.67 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2083480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).