N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide

C34H28FN2O2P — CID 176914691

IUPACN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28FN2O2P/c35-27-22-20-25(21-23-27)24-36-33(38)34(39)37-32(26-12-4-1-5-13-26)30-18-10-11-19-31(30)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23,32H,24H2,(H,36,38)(H,37,39)/t32-/m1/s1
InChIKeyCEJLZVFFRTXNNX-JGCGQSQUSA-N
MW546.58 g/mol
LogP5.11
Rot. Bonds8

About N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 176914691) has the molecular formula C34H28FN2O2P and a molecular weight of 546.58 g/mol. Its IUPAC name is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID176914691
Molecular FormulaC34H28FN2O2P
Molecular Weight546.58 g/mol
Exact Mass546.19
IUPAC NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28FN2O2P/c35-27-22-20-25(21-23-27)24-36-33(38)34(39)37-32(26-12-4-1-5-13-26)30-18-10-11-19-31(30)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23,32H,24H2,(H,36,38)(H,37,39)/t32-/m1/s1
InChIKeyCEJLZVFFRTXNNX-JGCGQSQUSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 55.11
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-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
CID 176914678
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 176914684
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
2-[(4-fluorophenyl)methylcarbamoyl]-4-phenylbut-2-enoic acid
CID 68878501
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535

Frequently Asked Questions

What is the IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 176914691) is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is CEJLZVFFRTXNNX-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H28FN2O2P/c35-27-22-20-25(21-23-27)24-36-33(38)34(39)37-32(26-12-4-1-5-13-26)30-18-10-11-19-31(30)40(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23,32H,24H2,(H,36,38)(H,37,39)/t32-/m1/s1.
What are the key properties of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 546.58 g/mol, XLogP of 5.11, 8 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-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 176914691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).