N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline

C24H22Cl2NO3P — CID 2317744

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)c1
InChIInChI=1S/C24H22Cl2NO3P/c1-29-20-13-14-24(30-2)23(15-20)27-31(28,16-21(25)18-9-5-3-6-10-18)17-22(26)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,27,28)/b21-16-,22-17-
InChIKeyIXWIDNDWJUBGLL-QLBLWQCWSA-N
MW474.32 g/mol
LogP7.87
Rot. Bonds8

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline (PubChem CID 2317744) has the molecular formula C24H22Cl2NO3P and a molecular weight of 474.32 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
PubChem CID2317744
Molecular FormulaC24H22Cl2NO3P
Molecular Weight474.32 g/mol
Exact Mass473.07
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)c1
InChIInChI=1S/C24H22Cl2NO3P/c1-29-20-13-14-24(30-2)23(15-20)27-31(28,16-21(25)18-9-5-3-6-10-18)17-22(26)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,27,28)/b21-16-,22-17-
InChIKeyIXWIDNDWJUBGLL-QLBLWQCWSA-N
XLogP7.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyanilino)-2-phenylprop-2-enoic acid
CID 70039083
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline
CID 2272806
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064928
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline (CID 2317744) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline is COc1ccc(OC)c(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)c1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline?
The InChIKey is IXWIDNDWJUBGLL-QLBLWQCWSA-N. The full InChI is InChI=1S/C24H22Cl2NO3P/c1-29-20-13-14-24(30-2)23(15-20)27-31(28,16-21(25)18-9-5-3-6-10-18)17-22(26)19-11-7-4-8-12-19/h3-17H,1-2H3,(H,27,28)/b21-16-,22-17-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline has a molecular weight of 474.32 g/mol, XLogP of 7.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline is sourced from PubChem (CID 2317744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).