2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide

C17H17BrN2O3 — CID 3594626

IUPAC2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
SMILESCOc1cc(C)c(C=NNC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H17BrN2O3/c1-11-8-15(22-2)16(23-3)9-12(11)10-19-20-17(21)13-6-4-5-7-14(13)18/h4-10H,1-3H3,(H,20,21)
InChIKeySWGPAMLONDQODG-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.54
Rot. Bonds5

About 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide

2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide (PubChem CID 3594626) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
PubChem CID3594626
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
SMILESCOc1cc(C)c(C=NNC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H17BrN2O3/c1-11-8-15(22-2)16(23-3)9-12(11)10-19-20-17(21)13-6-4-5-7-14(13)18/h4-10H,1-3H3,(H,20,21)
InChIKeySWGPAMLONDQODG-UHFFFAOYSA-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

2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135922466
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6085471
2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 139343121
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide (CID 3594626) is 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide is COc1cc(C)c(C=NNC(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide?
The InChIKey is SWGPAMLONDQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-8-15(22-2)16(23-3)9-12(11)10-19-20-17(21)13-6-4-5-7-14(13)18/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide?
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide 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 2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3594626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).