N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide

C15H12BrClN2O2 — CID 5450738

IUPACN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12BrClN2O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyBHBDMYIMKORVTC-NVMNQCDNSA-N
MW367.63 g/mol
LogP3.88
Rot. Bonds4

About N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide (PubChem CID 5450738) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
PubChem CID5450738
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12BrClN2O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyBHBDMYIMKORVTC-NVMNQCDNSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509270
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
(2S)-2-[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126015901
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 6303373
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide (CID 5450738) is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide is COc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide?
The InChIKey is BHBDMYIMKORVTC-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide?
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide has a molecular weight of 367.63 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 5450738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).