(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide

C17H15F4NO — CID 164686623

IUPAC(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
SMILESC[C@](CC(F)(F)F)(C(=O)Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H15F4NO/c1-16(11-17(19,20)21,13-9-5-6-10-14(13)18)15(23)22-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyPSVBXGGCVFKWIY-MRXNPFEDSA-N
MW325.31 g/mol
LogP4.67
Rot. Bonds4

About (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide

(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide (PubChem CID 164686623) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
PubChem CID164686623
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
SMILESC[C@](CC(F)(F)F)(C(=O)Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H15F4NO/c1-16(11-17(19,20)21,13-9-5-6-10-14(13)18)15(23)22-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyPSVBXGGCVFKWIY-MRXNPFEDSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
CID 138964215
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 102499454
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
3,3-difluoro-N-phenylbutanamide
CID 131059355

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide?
The IUPAC name of (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide (CID 164686623) is (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide is C[C@](CC(F)(F)F)(C(=O)Nc1ccccc1)c1ccccc1F.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide?
The InChIKey is PSVBXGGCVFKWIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F4NO/c1-16(11-17(19,20)21,13-9-5-6-10-14(13)18)15(23)22-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide?
(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide has a molecular weight of 325.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide is sourced from PubChem (CID 164686623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).