N-[chloro(phenyl)phosphoryl]-N-methylaniline

C13H13ClNOP — CID 13317612

IUPACN-[chloro(phenyl)phosphoryl]-N-methylaniline
SMILESCN(c1ccccc1)P(=O)(Cl)c1ccccc1
InChIInChI=1S/C13H13ClNOP/c1-15(12-8-4-2-5-9-12)17(14,16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyPXNSGTQYZLNBIQ-UHFFFAOYSA-N
MW265.68 g/mol
LogP3.88
Rot. Bonds3

About N-[chloro(phenyl)phosphoryl]-N-methylaniline

N-[chloro(phenyl)phosphoryl]-N-methylaniline (PubChem CID 13317612) has the molecular formula C13H13ClNOP and a molecular weight of 265.68 g/mol. Its IUPAC name is N-[chloro(phenyl)phosphoryl]-N-methylaniline.

Molecular Properties

Compound NameN-[chloro(phenyl)phosphoryl]-N-methylaniline
PubChem CID13317612
Molecular FormulaC13H13ClNOP
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-[chloro(phenyl)phosphoryl]-N-methylaniline
SMILESCN(c1ccccc1)P(=O)(Cl)c1ccccc1
InChIInChI=1S/C13H13ClNOP/c1-15(12-8-4-2-5-9-12)17(14,16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyPXNSGTQYZLNBIQ-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline
CID 98534487
lithium N-(diphenylphosphorylmethyl)-N-methylaniline
CID 134881538
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
(2S)-2-[[chloro(phenyl)phosphoryl]-propan-2-yloxyamino]propanoic acid
CID 141451984
N,N-dimethylaniline
CID 70392672
N-diphenylphosphoryloxy-N-phenylaniline
CID 175451878
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
diphenylphosphorylbenzene;terbium
CID 86595283
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of N-[chloro(phenyl)phosphoryl]-N-methylaniline?
The IUPAC name of N-[chloro(phenyl)phosphoryl]-N-methylaniline (CID 13317612) is N-[chloro(phenyl)phosphoryl]-N-methylaniline.
What is the SMILES notation for N-[chloro(phenyl)phosphoryl]-N-methylaniline?
The canonical SMILES for N-[chloro(phenyl)phosphoryl]-N-methylaniline is CN(c1ccccc1)P(=O)(Cl)c1ccccc1.
What is the InChIKey of N-[chloro(phenyl)phosphoryl]-N-methylaniline?
The InChIKey is PXNSGTQYZLNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClNOP/c1-15(12-8-4-2-5-9-12)17(14,16)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of N-[chloro(phenyl)phosphoryl]-N-methylaniline?
N-[chloro(phenyl)phosphoryl]-N-methylaniline has a molecular weight of 265.68 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(phenyl)phosphoryl]-N-methylaniline is sourced from PubChem (CID 13317612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).