N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide

C17H17BrN2O3 — CID 5453070

IUPACN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H17BrN2O3/c1-3-23-16-14(18)9-12(10-15(16)22-2)11-19-20-17(21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)/b19-11-
InChIKeyAQRZWWCZJLPAPZ-ODLFYWEKSA-N
MW377.24 g/mol
LogP3.62
Rot. Bonds6

About N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide

N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5453070) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID5453070
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H17BrN2O3/c1-3-23-16-14(18)9-12(10-15(16)22-2)11-19-20-17(21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)/b19-11-
InChIKeyAQRZWWCZJLPAPZ-ODLFYWEKSA-N
XLogP3.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
4-(Benzyloxy)-3-bromo-5-ethoxybenzaldehyde semicarbazone
CID 5347995
N'-(5-bromo-2-methoxybenzylidene)-3,4,5-trimethoxybenzohydrazide
CID 6875973
N'-(5-bromo-2-propoxybenzylidene)-3,4,5-trimethoxybenzohydrazide
CID 6876660
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 135420141
N'-(3-(Benzyloxy)benzylidene)-4-bromobenzohydrazide
CID 6868981
N'-[(5-bromo-2-methoxyphenyl)methylene]-3,4-dimethoxybenzenecarbohydrazide
CID 6893059
4-(Benzyloxy)-3-bromo-5-methoxybenzamide
CID 847699
3-(Benzyloxy)-5-bromo-4-methoxybenzamide
CID 900803
3-Bromo-4-ethoxy-5-phenylmethoxybenzamide
CID 1008052
2-bromo-N'-(3-phenoxybenzylidene)benzohydrazide
CID 6896085
N'-[(5-bromo-2-furyl)methylene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9564880

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide (CID 5453070) is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide is CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is AQRZWWCZJLPAPZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-23-16-14(18)9-12(10-15(16)22-2)11-19-20-17(21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide?
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 377.24 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5453070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).