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

C15H12BrClN2O2 — CID 7368869

IUPACN-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H12BrClN2O2/c1-21-14-7-2-10(8-13(14)16)9-18-19-15(20)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,20)
InChIKeyHPJRUOZULJWZKS-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.88
Rot. Bonds4

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

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide (PubChem CID 7368869) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
PubChem CID7368869
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H12BrClN2O2/c1-21-14-7-2-10(8-13(14)16)9-18-19-15(20)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,20)
InChIKeyHPJRUOZULJWZKS-UHFFFAOYSA-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

4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[1-[(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 6179235
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323347
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 5225618
N-[(Z)-[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126199927

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide (CID 7368869) is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide is COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The InChIKey is HPJRUOZULJWZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-21-14-7-2-10(8-13(14)16)9-18-19-15(20)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-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-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 7368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).