N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide

C28H24Cl2NOP — CID 13225603

IUPACN-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\Cl)P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24Cl2NOP/c1-22-17-19-23(20-18-22)28(32)31-27(21-29)33(30,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32)/b27-21+
InChIKeyZBISEJVISQXZKF-SZXQPVLSSA-N
MW492.39 g/mol
LogP6.45
Rot. Bonds6

About N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide

N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide (PubChem CID 13225603) has the molecular formula C28H24Cl2NOP and a molecular weight of 492.39 g/mol. Its IUPAC name is N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide
PubChem CID13225603
Molecular FormulaC28H24Cl2NOP
Molecular Weight492.39 g/mol
Exact Mass491.10
IUPAC NameN-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\Cl)P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24Cl2NOP/c1-22-17-19-23(20-18-22)28(32)31-27(21-29)33(30,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32)/b27-21+
InChIKeyZBISEJVISQXZKF-SZXQPVLSSA-N
XLogP6.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 56.45
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

4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide
CID 134870022
(4-methylbenzoyl)carbamic acid
CID 89120559
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
CID 2134372
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[(2E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 7033189
N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 2302595
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
CID 11964917
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide?
The IUPAC name of N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide (CID 13225603) is N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide?
The canonical SMILES for N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\Cl)P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide?
The InChIKey is ZBISEJVISQXZKF-SZXQPVLSSA-N. The full InChI is InChI=1S/C28H24Cl2NOP/c1-22-17-19-23(20-18-22)28(32)31-27(21-29)33(30,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32)/b27-21+.
What are the key properties of N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide?
N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide has a molecular weight of 492.39 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide is sourced from PubChem (CID 13225603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).