N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide

C17H17BrN2O3 — CID 110509184

IUPACN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)c1OC
InChIInChI=1S/C17H17BrN2O3/c1-11-4-6-12(7-5-11)17(21)20-19-10-13-8-9-14(22-2)16(23-3)15(13)18/h4-10H,1-3H3,(H,20,21)/b19-10-
InChIKeyPUEXMIBPYHCYLX-GRSHGNNSSA-N
MW377.24 g/mol
LogP3.54
Rot. Bonds5

About N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide

N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 110509184) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID110509184
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)c1OC
InChIInChI=1S/C17H17BrN2O3/c1-11-4-6-12(7-5-11)17(21)20-19-10-13-8-9-14(22-2)16(23-3)15(13)18/h4-10H,1-3H3,(H,20,21)/b19-10-
InChIKeyPUEXMIBPYHCYLX-GRSHGNNSSA-N
XLogP3.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.54
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

4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
4-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54724958
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515468
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 4519390
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
3-(4-methylphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3960353
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide (CID 110509184) is N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide is COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)c1OC.
What is the InChIKey of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is PUEXMIBPYHCYLX-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-4-6-12(7-5-11)17(21)20-19-10-13-8-9-14(22-2)16(23-3)15(13)18/h4-10H,1-3H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 110509184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).