N-diphenylphosphanyl-4-methylbenzamide

C20H18NOP — CID 102381455

IUPACN-diphenylphosphanyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18NOP/c1-16-12-14-17(15-13-16)20(22)21-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,21,22)
InChIKeyMGAQERAREPSCPM-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.77
Rot. Bonds4

About N-diphenylphosphanyl-4-methylbenzamide

N-diphenylphosphanyl-4-methylbenzamide (PubChem CID 102381455) has the molecular formula C20H18NOP and a molecular weight of 319.34 g/mol. Its IUPAC name is N-diphenylphosphanyl-4-methylbenzamide.

Molecular Properties

Compound NameN-diphenylphosphanyl-4-methylbenzamide
PubChem CID102381455
Molecular FormulaC20H18NOP
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC NameN-diphenylphosphanyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18NOP/c1-16-12-14-17(15-13-16)20(22)21-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,21,22)
InChIKeyMGAQERAREPSCPM-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylbenzamide;ethane;toluene
CID 143677670
(4-methylbenzoyl)carbamic acid
CID 89120559
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
ethane;4-methylbenzohydrazide
CID 143952809

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-4-methylbenzamide?
The IUPAC name of N-diphenylphosphanyl-4-methylbenzamide (CID 102381455) is N-diphenylphosphanyl-4-methylbenzamide.
What is the SMILES notation for N-diphenylphosphanyl-4-methylbenzamide?
The canonical SMILES for N-diphenylphosphanyl-4-methylbenzamide is Cc1ccc(C(=O)NP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-4-methylbenzamide?
The InChIKey is MGAQERAREPSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOP/c1-16-12-14-17(15-13-16)20(22)21-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,21,22).
What are the key properties of N-diphenylphosphanyl-4-methylbenzamide?
N-diphenylphosphanyl-4-methylbenzamide has a molecular weight of 319.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-4-methylbenzamide is sourced from PubChem (CID 102381455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).