N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide

C28H22ClN3O2 — CID 4099820

IUPACN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H22ClN3O2/c1-19(20-13-17-26(18-14-20)30-27(33)23-11-15-25(29)16-12-23)31-32-28(34)24-9-7-22(8-10-24)21-5-3-2-4-6-21/h2-18H,1H3,(H,30,33)(H,32,34)
InChIKeyQJJBKVHQPZFJPX-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.41
Rot. Bonds6

About N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide

N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide (PubChem CID 4099820) has the molecular formula C28H22ClN3O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
PubChem CID4099820
Molecular FormulaC28H22ClN3O2
Molecular Weight467.96 g/mol
Exact Mass467.14
IUPAC NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H22ClN3O2/c1-19(20-13-17-26(18-14-20)30-27(33)23-11-15-25(29)16-12-23)31-32-28(34)24-9-7-22(8-10-24)21-5-3-2-4-6-21/h2-18H,1H3,(H,30,33)(H,32,34)
InChIKeyQJJBKVHQPZFJPX-UHFFFAOYSA-N
XLogP6.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
3-chloro-N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 4075571
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide (CID 4099820) is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide is CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide?
The InChIKey is QJJBKVHQPZFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O2/c1-19(20-13-17-26(18-14-20)30-27(33)23-11-15-25(29)16-12-23)31-32-28(34)24-9-7-22(8-10-24)21-5-3-2-4-6-21/h2-18H,1H3,(H,30,33)(H,32,34).
What are the key properties of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide?
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide has a molecular weight of 467.96 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 4099820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).