3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline

C22H16Cl4NOP — CID 39921399

IUPAC3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl4NOP/c23-19-12-11-18(13-20(19)24)27-29(28,14-21(25)16-7-3-1-4-8-16)15-22(26)17-9-5-2-6-10-17/h1-15H,(H,27,28)/b21-14-,22-15+
InChIKeyWDIPRPHUAKTYOI-BILXGNRESA-N
MW483.16 g/mol
LogP9.16
Rot. Bonds6

About 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline

3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline (PubChem CID 39921399) has the molecular formula C22H16Cl4NOP and a molecular weight of 483.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
PubChem CID39921399
Molecular FormulaC22H16Cl4NOP
Molecular Weight483.16 g/mol
Exact Mass480.97
IUPAC Name3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl4NOP/c23-19-12-11-18(13-20(19)24)27-29(28,14-21(25)16-7-3-1-4-8-16)15-22(26)17-9-5-2-6-10-17/h1-15H,(H,27,28)/b21-14-,22-15+
InChIKeyWDIPRPHUAKTYOI-BILXGNRESA-N
XLogP9.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.16
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]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-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
CID 3661620
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
CID 6257382
N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583044
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
CID 39923516
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
CID 6032031
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744
[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 84583050
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5192014
2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
CID 101360126
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline?
The IUPAC name of 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline (CID 39921399) is 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline?
The canonical SMILES for 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline is O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline?
The InChIKey is WDIPRPHUAKTYOI-BILXGNRESA-N. The full InChI is InChI=1S/C22H16Cl4NOP/c23-19-12-11-18(13-20(19)24)27-29(28,14-21(25)16-7-3-1-4-8-16)15-22(26)17-9-5-2-6-10-17/h1-15H,(H,27,28)/b21-14-,22-15+.
What are the key properties of 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline?
3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline has a molecular weight of 483.16 g/mol, XLogP of 9.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline is sourced from PubChem (CID 39921399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).