2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide

C15H11ClF3NO — CID 43082478

IUPAC2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C15H11ClF3NO/c16-13(10-4-2-1-3-5-10)14(21)20-12-8-6-11(7-9-12)15(17,18)19/h1-9,13H,(H,20,21)
InChIKeyIIPVNPPWAKZKQT-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.62
Rot. Bonds3

About 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 43082478) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID43082478
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C15H11ClF3NO/c16-13(10-4-2-1-3-5-10)14(21)20-12-8-6-11(7-9-12)15(17,18)19/h1-9,13H,(H,20,21)
InChIKeyIIPVNPPWAKZKQT-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.62
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

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-[(1S)-2-oxo-1-phenyl-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetate
CID 6987287
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
CID 62811265
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
CID 43700671
2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67929903
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 43082478) is 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IIPVNPPWAKZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-13(10-4-2-1-3-5-10)14(21)20-12-8-6-11(7-9-12)15(17,18)19/h1-9,13H,(H,20,21).
What are the key properties of 2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 313.71 g/mol, XLogP of 4.62, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43082478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).