N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide

C14H9ClF3NO — CID 71673894

IUPACN-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)C(F)(F)F
InChIInChI=1S/C14H9ClF3NO/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(20)14(16,17)18/h1-8H,(H,19,20)
InChIKeyOEJMLYSIWMCDOV-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.51
Rot. Bonds2

About N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 71673894) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID71673894
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)C(F)(F)F
InChIInChI=1S/C14H9ClF3NO/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(20)14(16,17)18/h1-8H,(H,19,20)
InChIKeyOEJMLYSIWMCDOV-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19998
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CID 2736671
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
7-Chloro-4-methylcarbostyril
CID 75680
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767
N-(5-Chloro-2-methylphenyl)acetamide
CID 80000
(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
CID 677915
N-(2-Chlorophenyl)cinnamamide
CID 765318
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-(3-Chlorophenyl)-N'-(4-(trifluoromethyl)phenyl)urea
CID 266473

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide (CID 71673894) is N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is OEJMLYSIWMCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(20)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 299.68 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 71673894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).