N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide

C31H24ClN2P — CID 57380497

IUPACN-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
SMILESClc1ccc(N/C(=N\c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H24ClN2P/c32-25-20-22-26(23-21-25)33-31(24-12-4-1-5-13-24)34-29-18-10-11-19-30(29)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H,(H,33,34)
InChIKeyHBRJFOJNHHLDLO-UHFFFAOYSA-N
MW490.97 g/mol
LogP7.29
Rot. Bonds6

About N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide

N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide (PubChem CID 57380497) has the molecular formula C31H24ClN2P and a molecular weight of 490.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
PubChem CID57380497
Molecular FormulaC31H24ClN2P
Molecular Weight490.97 g/mol
Exact Mass490.14
IUPAC NameN-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
SMILESClc1ccc(N/C(=N\c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H24ClN2P/c32-25-20-22-26(23-21-25)33-31(24-12-4-1-5-13-24)34-29-18-10-11-19-30(29)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H,(H,33,34)
InChIKeyHBRJFOJNHHLDLO-UHFFFAOYSA-N
XLogP7.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene
CID 101442398
N-(3,5-dichlorophenyl)-N'-phenylbenzenecarboximidamide
CID 4779422
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
CID 132582428
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide (CID 57380497) is N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide is Clc1ccc(N/C(=N\c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide?
The InChIKey is HBRJFOJNHHLDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClN2P/c32-25-20-22-26(23-21-25)33-31(24-12-4-1-5-13-24)34-29-18-10-11-19-30(29)35(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H,(H,33,34).
What are the key properties of N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide?
N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide has a molecular weight of 490.97 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide is sourced from PubChem (CID 57380497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).