3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

C16H15BrN2O3 — CID 5334858

IUPAC3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OC
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-4-6-12(15(14)22-2)10-18-19-16(20)11-5-3-7-13(17)9-11/h3-10H,1-2H3,(H,19,20)/b18-10+
InChIKeyASASIZXTVHPWSF-VCHYOVAHSA-N
MW363.21 g/mol
LogP3.23
Rot. Bonds5

About 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 5334858) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID5334858
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OC
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-4-6-12(15(14)22-2)10-18-19-16(20)11-5-3-7-13(17)9-11/h3-10H,1-2H3,(H,19,20)/b18-10+
InChIKeyASASIZXTVHPWSF-VCHYOVAHSA-N
XLogP3.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.23
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

3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
4-bromo-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982588
3-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136865713
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
2-[2-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126207694
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 71951577
3-bromo-N-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3871550
[4-bromo-2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6000864
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (CID 5334858) is 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OC.
What is the InChIKey of 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is ASASIZXTVHPWSF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-21-14-8-4-6-12(15(14)22-2)10-18-19-16(20)11-5-3-7-13(17)9-11/h3-10H,1-2H3,(H,19,20)/b18-10+.
What are the key properties of 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 363.21 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).