N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline

C15H14Cl2NOP — CID 98534487

IUPACN-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline
SMILESCN(c1ccc(/C=C\c2ccccc2)cc1)P(=O)(Cl)Cl
InChIInChI=1S/C15H14Cl2NOP/c1-18(20(16,17)19)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7-
InChIKeyXKRWQTUWHMAIIC-FPLPWBNLSA-N
MW326.16 g/mol
LogP5.88
Rot. Bonds4

About N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline

N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline (PubChem CID 98534487) has the molecular formula C15H14Cl2NOP and a molecular weight of 326.16 g/mol. Its IUPAC name is N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline.

Molecular Properties

Compound NameN-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline
PubChem CID98534487
Molecular FormulaC15H14Cl2NOP
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC NameN-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline
SMILESCN(c1ccc(/C=C\c2ccccc2)cc1)P(=O)(Cl)Cl
InChIInChI=1S/C15H14Cl2NOP/c1-18(20(16,17)19)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7-
InChIKeyXKRWQTUWHMAIIC-FPLPWBNLSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.16
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline 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

N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N,N-dimethylmethanamine;stilbene
CID 174368184
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N-[chloro(phenyl)phosphoryl]-N-methylaniline
CID 13317612
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline?
The IUPAC name of N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline (CID 98534487) is N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline.
What is the SMILES notation for N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline?
The canonical SMILES for N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline is CN(c1ccc(/C=C\c2ccccc2)cc1)P(=O)(Cl)Cl.
What is the InChIKey of N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline?
The InChIKey is XKRWQTUWHMAIIC-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H14Cl2NOP/c1-18(20(16,17)19)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7-.
What are the key properties of N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline?
N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline has a molecular weight of 326.16 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphoryl-N-methyl-4-[(Z)-2-phenylethenyl]aniline is sourced from PubChem (CID 98534487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).