2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H10ClF4NO — CID 67929903

IUPAC2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C15H10ClF4NO/c16-13(9-3-1-5-11(17)7-9)14(22)21-12-6-2-4-10(8-12)15(18,19)20/h1-8,13H,(H,21,22)
InChIKeyILQLNBKNTFQLHC-UHFFFAOYSA-N
MW331.70 g/mol
LogP4.76
Rot. Bonds3

About 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 67929903) has the molecular formula C15H10ClF4NO and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID67929903
Molecular FormulaC15H10ClF4NO
Molecular Weight331.70 g/mol
Exact Mass331.04
IUPAC Name2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C15H10ClF4NO/c16-13(9-3-1-5-11(17)7-9)14(22)21-12-6-2-4-10(8-12)15(18,19)20/h1-8,13H,(H,21,22)
InChIKeyILQLNBKNTFQLHC-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 144981955
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
CID 89006052
CID 89006052
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 4-chlorobenzoate
CID 2360642
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 67929903) is 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ILQLNBKNTFQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO/c16-13(9-3-1-5-11(17)7-9)14(22)21-12-6-2-4-10(8-12)15(18,19)20/h1-8,13H,(H,21,22).
What are the key properties of 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 331.70 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67929903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).