N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide

C34H32N2OP2 — CID 142035963

IUPACN-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
SMILESCc1cccc(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(C)N
InChIInChI=1S/C34H32N2OP2/c1-24-14-12-21-29(32(24)33-25(2)15-13-23-31(33)38(3)35)36-34(37)28-20-10-11-22-30(28)39(26-16-6-4-7-17-26)27-18-8-5-9-19-27/h4-23H,35H2,1-3H3,(H,36,37)
InChIKeyWLMGHPWTOKWCLV-UHFFFAOYSA-N
MW546.59 g/mol
LogP6.59
Rot. Bonds7

About N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide

N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide (PubChem CID 142035963) has the molecular formula C34H32N2OP2 and a molecular weight of 546.59 g/mol. Its IUPAC name is N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
PubChem CID142035963
Molecular FormulaC34H32N2OP2
Molecular Weight546.59 g/mol
Exact Mass546.20
IUPAC NameN-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
SMILESCc1cccc(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(C)N
InChIInChI=1S/C34H32N2OP2/c1-24-14-12-21-29(32(24)33-25(2)15-13-23-31(33)38(3)35)36-34(37)28-20-10-11-22-30(28)39(26-16-6-4-7-17-26)27-18-8-5-9-19-27/h4-23H,35H2,1-3H3,(H,36,37)
InChIKeyWLMGHPWTOKWCLV-UHFFFAOYSA-N
XLogP6.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.59
LogP ≤ 56.59
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

2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
CID 21296878
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane
CID 90341440
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
N-(2-carbamoyl-3-methylphenyl)-3-methyl-2-nitrobenzamide
CID 87006002
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide?
The IUPAC name of N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide (CID 142035963) is N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide.
What is the SMILES notation for N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide?
The canonical SMILES for N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide is Cc1cccc(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(C)N.
What is the InChIKey of N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide?
The InChIKey is WLMGHPWTOKWCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2OP2/c1-24-14-12-21-29(32(24)33-25(2)15-13-23-31(33)38(3)35)36-34(37)28-20-10-11-22-30(28)39(26-16-6-4-7-17-26)27-18-8-5-9-19-27/h4-23H,35H2,1-3H3,(H,36,37).
What are the key properties of N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide?
N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide has a molecular weight of 546.59 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide is sourced from PubChem (CID 142035963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).