(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide

C22H17BrF3NO — CID 138964155

IUPAC(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)[C@@](CC(F)(F)F)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF3NO/c23-18-13-11-17(12-14-18)21(15-22(24,25)26,16-7-3-1-4-8-16)20(28)27-19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/t21-/m0/s1
InChIKeyOIADCDNUQXXLBE-NRFANRHFSA-N
MW448.28 g/mol
LogP6.33
Rot. Bonds5

About (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide

(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide (PubChem CID 138964155) has the molecular formula C22H17BrF3NO and a molecular weight of 448.28 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide
PubChem CID138964155
Molecular FormulaC22H17BrF3NO
Molecular Weight448.28 g/mol
Exact Mass447.04
IUPAC Name(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)[C@@](CC(F)(F)F)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF3NO/c23-18-13-11-17(12-14-18)21(15-22(24,25)26,16-7-3-1-4-8-16)20(28)27-19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/t21-/m0/s1
InChIKeyOIADCDNUQXXLBE-NRFANRHFSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.28
LogP ≤ 56.33
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
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
CID 164686623
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2-anilino-N,2,2-triphenylacetamide
CID 2168373
2,2-difluoro-2-naphthalen-2-yl-N-phenylacetamide
CID 102584722
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide?
The IUPAC name of (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide (CID 138964155) is (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide?
The canonical SMILES for (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide is O=C(Nc1ccccc1)[C@@](CC(F)(F)F)(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide?
The InChIKey is OIADCDNUQXXLBE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H17BrF3NO/c23-18-13-11-17(12-14-18)21(15-22(24,25)26,16-7-3-1-4-8-16)20(28)27-19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide?
(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide has a molecular weight of 448.28 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide is sourced from PubChem (CID 138964155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).