2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide

C14H9ClF3NO — CID 62811265

IUPAC2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C(Cl)c1ccccc1
InChIInChI=1S/C14H9ClF3NO/c15-12(8-4-2-1-3-5-8)14(20)19-9-6-10(16)13(18)11(17)7-9/h1-7,12H,(H,19,20)
InChIKeyIMPLQUIKMBXXON-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide

2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 62811265) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID62811265
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)C(Cl)c1ccccc1
InChIInChI=1S/C14H9ClF3NO/c15-12(8-4-2-1-3-5-8)14(20)19-9-6-10(16)13(18)11(17)7-9/h1-7,12H,(H,19,20)
InChIKeyIMPLQUIKMBXXON-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide
CID 107582669
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
CID 107594821
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide (CID 62811265) is 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide is O=C(Nc1cc(F)c(F)c(F)c1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is IMPLQUIKMBXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-12(8-4-2-1-3-5-8)14(20)19-9-6-10(16)13(18)11(17)7-9/h1-7,12H,(H,19,20).
What are the key properties of 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide?
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 299.68 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 62811265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).