N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide

C34H26F3N2O2P — CID 176914684

IUPACN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26F3N2O2P/c35-34(36,37)25-20-22-26(23-21-25)38-32(40)33(41)39-31(24-12-4-1-5-13-24)29-18-10-11-19-30(29)42(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,31H,(H,38,40)(H,39,41)/t31-/m1/s1
InChIKeyBLHPWLBPLWAUSF-WJOKGBTCSA-N
MW582.56 g/mol
LogP6.31
Rot. Bonds7

About N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide

N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 176914684) has the molecular formula C34H26F3N2O2P and a molecular weight of 582.56 g/mol. Its IUPAC name is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID176914684
Molecular FormulaC34H26F3N2O2P
Molecular Weight582.56 g/mol
Exact Mass582.17
IUPAC NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26F3N2O2P/c35-34(36,37)25-20-22-26(23-21-25)38-32(40)33(41)39-31(24-12-4-1-5-13-24)29-18-10-11-19-30(29)42(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,31H,(H,38,40)(H,39,41)/t31-/m1/s1
InChIKeyBLHPWLBPLWAUSF-WJOKGBTCSA-N
XLogP6.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.56
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
CID 176914678
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-benzylidene-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
CID 5236437
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010

Frequently Asked Questions

What is the IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide (CID 176914684) is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is BLHPWLBPLWAUSF-WJOKGBTCSA-N. The full InChI is InChI=1S/C34H26F3N2O2P/c35-34(36,37)25-20-22-26(23-21-25)38-32(40)33(41)39-31(24-12-4-1-5-13-24)29-18-10-11-19-30(29)42(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23,31H,(H,38,40)(H,39,41)/t31-/m1/s1.
What are the key properties of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 582.56 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 176914684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).