5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

C17H17BrN2O2 — CID 5498486

IUPAC5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C(/C)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11-4-6-13(7-5-11)12(2)19-20-17(21)15-10-14(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-
InChIKeyURMVSUYZJUQPKG-UNOMPAQXSA-N
MW361.24 g/mol
LogP3.92
Rot. Bonds4

About 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (PubChem CID 5498486) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
PubChem CID5498486
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C(/C)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11-4-6-13(7-5-11)12(2)19-20-17(21)15-10-14(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-
InChIKeyURMVSUYZJUQPKG-UNOMPAQXSA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.92
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

N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
5-bromo-2-methoxy-N-(methylcarbamothioyl)benzamide
CID 17094573
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (CID 5498486) is 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide is COc1ccc(Br)cc1C(=O)N/N=C(/C)c1ccc(C)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The InChIKey is URMVSUYZJUQPKG-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11-4-6-13(7-5-11)12(2)19-20-17(21)15-10-14(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).