N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide

C23H21F3NOP — CID 132819492

IUPACN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H21F3NOP/c24-23(25,26)22(28)27-19(16-18-10-4-1-5-11-18)17-29(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2,(H,27,28)/t19-/m0/s1
InChIKeyRBPKZHNRFCLWHZ-IBGZPJMESA-N
MW415.40 g/mol
LogP4.41
Rot. Bonds7

About N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 132819492) has the molecular formula C23H21F3NOP and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID132819492
Molecular FormulaC23H21F3NOP
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H21F3NOP/c24-23(25,26)22(28)27-19(16-18-10-4-1-5-11-18)17-29(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2,(H,27,28)/t19-/m0/s1
InChIKeyRBPKZHNRFCLWHZ-IBGZPJMESA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 744355
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CID 154665756
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
N-Trifluoroacetyl amphetamine
CID 530398
N-benzhydryl-2,2,2-trifluoroacetamide
CID 870972
Propynamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-3-phenyl-
CID 210141
Propenamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-3-phenyl-
CID 6445083
(E)-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26913060
N-(2-fluoro-1,2-diphenylethyl)acetamide
CID 101085488
2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 14877236
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide
CID 19768307
N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide
CID 874192

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide (CID 132819492) is N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide is O=C(N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RBPKZHNRFCLWHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21F3NOP/c24-23(25,26)22(28)27-19(16-18-10-4-1-5-11-18)17-29(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2,(H,27,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 415.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 132819492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).