2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C50H44N2O2P2 — CID 102179617

IUPAC2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1cc2c(cc1C)[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C50H44N2O2P2/c1-35-33-37-31-32-45(51-49(53)42-27-15-17-29-46(42)55(38-19-7-3-8-20-38)39-21-9-4-10-22-39)48(44(37)34-36(35)2)52-50(54)43-28-16-18-30-47(43)56(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-30,33-34,45,48H,31-32H2,1-2H3,(H,51,53)(H,52,54)/t45-,48-/m0/s1
InChIKeyRLRNCPSUWDAFSQ-PSCNNDFWSA-N
MW766.86 g/mol
LogP8.04
Rot. Bonds10

About 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 102179617) has the molecular formula C50H44N2O2P2 and a molecular weight of 766.86 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID102179617
Molecular FormulaC50H44N2O2P2
Molecular Weight766.86 g/mol
Exact Mass766.29
IUPAC Name2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1cc2c(cc1C)[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C50H44N2O2P2/c1-35-33-37-31-32-45(51-49(53)42-27-15-17-29-46(42)55(38-19-7-3-8-20-38)39-21-9-4-10-22-39)48(44(37)34-36(35)2)52-50(54)43-28-16-18-30-47(43)56(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-30,33-34,45,48H,31-32H2,1-2H3,(H,51,53)(H,52,54)/t45-,48-/m0/s1
InChIKeyRLRNCPSUWDAFSQ-PSCNNDFWSA-N
XLogP8.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.86
LogP ≤ 58.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,4R)-3,4-bis[(2-diphenylphosphanylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 101213259
2-diphenylphosphanyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-[(2-diphenylphosphanylbenzoyl)amino]-3-methylbutyl]amino]cyclohexyl]amino]-3-methylbutan-2-yl]benzamide
CID 11593126
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1R,2R)-2-[[2-bis[4-[3-(2-methoxyethoxymethoxy)prop-1-ynyl]phenyl]phosphanylbenzoyl]amino]cyclohexyl]-2-diphenylphosphanylbenzamide
CID 135084012
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
[(1R,2S)-1-(carboxyamino)-6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 160888294
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide
CID 102236264
N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
CID 142035963
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 102179617) is 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is Cc1cc2c(cc1C)[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is RLRNCPSUWDAFSQ-PSCNNDFWSA-N. The full InChI is InChI=1S/C50H44N2O2P2/c1-35-33-37-31-32-45(51-49(53)42-27-15-17-29-46(42)55(38-19-7-3-8-20-38)39-21-9-4-10-22-39)48(44(37)34-36(35)2)52-50(54)43-28-16-18-30-47(43)56(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-30,33-34,45,48H,31-32H2,1-2H3,(H,51,53)(H,52,54)/t45-,48-/m0/s1.
What are the key properties of 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 766.86 g/mol, XLogP of 8.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[(1S,2S)-1-[(2-diphenylphosphanylbenzoyl)amino]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 102179617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).