N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide

C25H26NO4P — CID 102308889

IUPACN-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO4P/c27-25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)31(28,29-21-14-6-2-7-15-21)30-22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2,(H,26,27)/t23-,24-/m1/s1
InChIKeyBDPWXOKOHKDPSS-DNQXCXABSA-N
MW435.46 g/mol
LogP6.08
Rot. Bonds7

About N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide

N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide (PubChem CID 102308889) has the molecular formula C25H26NO4P and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
PubChem CID102308889
Molecular FormulaC25H26NO4P
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO4P/c27-25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)31(28,29-21-14-6-2-7-15-21)30-22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2,(H,26,27)/t23-,24-/m1/s1
InChIKeyBDPWXOKOHKDPSS-DNQXCXABSA-N
XLogP6.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
CID 102579935
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(tritylamino)cyclohexyl]benzamide
CID 71814998
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-[(cyclohexylamino)-phenoxyphosphoryl]benzamide
CID 23994092

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide (CID 102308889) is N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide?
The InChIKey is BDPWXOKOHKDPSS-DNQXCXABSA-N. The full InChI is InChI=1S/C25H26NO4P/c27-25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)31(28,29-21-14-6-2-7-15-21)30-22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2,(H,26,27)/t23-,24-/m1/s1.
What are the key properties of N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide?
N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide has a molecular weight of 435.46 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide is sourced from PubChem (CID 102308889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).