N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide

C16H14F3NO — CID 56956755

IUPACN-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO/c1-11(21)20-15(12-5-3-2-4-6-12)13-7-9-14(10-8-13)16(17,18)19/h2-10,15H,1H3,(H,20,21)/t15-/m0/s1
InChIKeyKTOMHAUESSOZMR-HNNXBMFYSA-N
MW293.29 g/mol
LogP3.93
Rot. Bonds3

About N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide

N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 56956755) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID56956755
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO/c1-11(21)20-15(12-5-3-2-4-6-12)13-7-9-14(10-8-13)16(17,18)19/h2-10,15H,1H3,(H,20,21)/t15-/m0/s1
InChIKeyKTOMHAUESSOZMR-HNNXBMFYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

SA-58035
CID 122215
N-Benzylacetamide
CID 11500
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
Ksp-IA
CID 24901494

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 56956755) is N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KTOMHAUESSOZMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11(21)20-15(12-5-3-2-4-6-12)13-7-9-14(10-8-13)16(17,18)19/h2-10,15H,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 293.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 56956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).