N-methyl-4-(phosphanylmethyl)benzamide

C9H12NOP — CID 143273405

IUPACN-methyl-4-(phosphanylmethyl)benzamide
SMILESCNC(=O)c1ccc(CP)cc1
InChIInChI=1S/C9H12NOP/c1-10-9(11)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,10,11)
InChIKeyDLSFLUFWMODDEW-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.42
Rot. Bonds2

About N-methyl-4-(phosphanylmethyl)benzamide

N-methyl-4-(phosphanylmethyl)benzamide (PubChem CID 143273405) has the molecular formula C9H12NOP and a molecular weight of 181.17 g/mol. Its IUPAC name is N-methyl-4-(phosphanylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(phosphanylmethyl)benzamide
PubChem CID143273405
Molecular FormulaC9H12NOP
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-methyl-4-(phosphanylmethyl)benzamide
SMILESCNC(=O)c1ccc(CP)cc1
InChIInChI=1S/C9H12NOP/c1-10-9(11)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,10,11)
InChIKeyDLSFLUFWMODDEW-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-(phosphanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
[4-(methylcarbamoyl)phenyl]methanesulfinic acid
CID 165455405
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-methylbenzamide
CID 11954
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(phosphanylmethyl)benzamide?
The IUPAC name of N-methyl-4-(phosphanylmethyl)benzamide (CID 143273405) is N-methyl-4-(phosphanylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-(phosphanylmethyl)benzamide?
The canonical SMILES for N-methyl-4-(phosphanylmethyl)benzamide is CNC(=O)c1ccc(CP)cc1.
What is the InChIKey of N-methyl-4-(phosphanylmethyl)benzamide?
The InChIKey is DLSFLUFWMODDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOP/c1-10-9(11)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H,10,11).
What are the key properties of N-methyl-4-(phosphanylmethyl)benzamide?
N-methyl-4-(phosphanylmethyl)benzamide has a molecular weight of 181.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(phosphanylmethyl)benzamide is sourced from PubChem (CID 143273405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).