N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide

C21H15BrClN3O2 — CID 94831822

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClN3O2/c22-16-9-5-14(6-10-16)13-24-26-21(28)18-3-1-2-4-19(18)25-20(27)15-7-11-17(23)12-8-15/h1-13H,(H,25,27)(H,26,28)/b24-13-
InChIKeyGXGFMVISIREAJB-CFRMEGHHSA-N
MW456.73 g/mol
LogP5.12
Rot. Bonds5

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide (PubChem CID 94831822) has the molecular formula C21H15BrClN3O2 and a molecular weight of 456.73 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
PubChem CID94831822
Molecular FormulaC21H15BrClN3O2
Molecular Weight456.73 g/mol
Exact Mass455.00
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClN3O2/c22-16-9-5-14(6-10-16)13-24-26-21(28)18-3-1-2-4-19(18)25-20(27)15-7-11-17(23)12-8-15/h1-13H,(H,25,27)(H,26,28)/b24-13-
InChIKeyGXGFMVISIREAJB-CFRMEGHHSA-N
XLogP5.12
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.73
LogP ≤ 55.12
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

2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[4-bromo-2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 23107340
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136897219
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
[4-bromo-2-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126005993

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide (CID 94831822) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide?
The InChIKey is GXGFMVISIREAJB-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H15BrClN3O2/c22-16-9-5-14(6-10-16)13-24-26-21(28)18-3-1-2-4-19(18)25-20(27)15-7-11-17(23)12-8-15/h1-13H,(H,25,27)(H,26,28)/b24-13-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide has a molecular weight of 456.73 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide is sourced from PubChem (CID 94831822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).