N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide

C14H9ClF3NO — CID 850559

IUPACN-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyIEWWTKVYWQMDQW-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.61
Rot. Bonds2

About N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide

N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 850559) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
PubChem CID850559
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyIEWWTKVYWQMDQW-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide (CID 850559) is N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is IEWWTKVYWQMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 299.68 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 850559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).