2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide

C44H40N2O4P2 — CID 100933455

IUPAC2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H40N2O4P2/c47-43(37-27-13-17-31-41(37)51(49,33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)52(50,35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m1/s1
InChIKeyFNNOPARCCINQKS-XRSDMRJBSA-N
MW722.76 g/mol
LogP6.44
Rot. Bonds10

About 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide

2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 100933455) has the molecular formula C44H40N2O4P2 and a molecular weight of 722.76 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID100933455
Molecular FormulaC44H40N2O4P2
Molecular Weight722.76 g/mol
Exact Mass722.25
IUPAC Name2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H40N2O4P2/c47-43(37-27-13-17-31-41(37)51(49,33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)52(50,35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m1/s1
InChIKeyFNNOPARCCINQKS-XRSDMRJBSA-N
XLogP6.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.76
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide
CID 132919153
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-[2-(tritylamino)cyclohexyl]benzamide
CID 71814998
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-(2-benzamidocyclobutyl)benzamide
CID 58037122

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide (CID 100933455) is 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is FNNOPARCCINQKS-XRSDMRJBSA-N. The full InChI is InChI=1S/C44H40N2O4P2/c47-43(37-27-13-17-31-41(37)51(49,33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)52(50,35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m1/s1.
What are the key properties of 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide?
2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 722.76 g/mol, XLogP of 6.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 100933455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).