N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline

C22H17Cl3NOP — CID 6257382

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C22H17Cl3NOP/c23-19-13-7-8-14-22(19)26-28(27,15-20(24)17-9-3-1-4-10-17)16-21(25)18-11-5-2-6-12-18/h1-16H,(H,26,27)/b20-15-,21-16-
InChIKeyOYZCFUUMFNOFKS-DRXLFAFDSA-N
MW448.72 g/mol
LogP8.50
Rot. Bonds6

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline (PubChem CID 6257382) has the molecular formula C22H17Cl3NOP and a molecular weight of 448.72 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
PubChem CID6257382
Molecular FormulaC22H17Cl3NOP
Molecular Weight448.72 g/mol
Exact Mass447.01
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C22H17Cl3NOP/c23-19-13-7-8-14-22(19)26-28(27,15-20(24)17-9-3-1-4-10-17)16-21(25)18-11-5-2-6-12-18/h1-16H,(H,26,27)/b20-15-,21-16-
InChIKeyOYZCFUUMFNOFKS-DRXLFAFDSA-N
XLogP8.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 58.50
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

3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
CID 39921399
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
CID 3661620
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
CID 6032031
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583044
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
CID 39923516
1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
CID 3666298
1-[2-[bis(2-chloro-2-phenylethenyl)phosphorylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 5243024
[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 84583050

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline (CID 6257382) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline is O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline?
The InChIKey is OYZCFUUMFNOFKS-DRXLFAFDSA-N. The full InChI is InChI=1S/C22H17Cl3NOP/c23-19-13-7-8-14-22(19)26-28(27,15-20(24)17-9-3-1-4-10-17)16-21(25)18-11-5-2-6-12-18/h1-16H,(H,26,27)/b20-15-,21-16-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline has a molecular weight of 448.72 g/mol, XLogP of 8.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline is sourced from PubChem (CID 6257382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).