3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide

C16H15BrN2O — CID 3319660

IUPAC3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C16H15BrN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20)
InChIKeyWWTWJXYTQQQVGH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.91
Rot. Bonds3

About 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide

3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide (PubChem CID 3319660) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
PubChem CID3319660
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C16H15BrN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20)
InChIKeyWWTWJXYTQQQVGH-UHFFFAOYSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-[(3-bromobenzoyl)amino]-N-[1-(4-fluorophenyl)ethylideneamino]benzamide
CID 86809554
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide (CID 3319660) is 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1cccc(Br)c1)c1cccc(C)c1.
What is the InChIKey of 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide?
The InChIKey is WWTWJXYTQQQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide?
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide has a molecular weight of 331.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3319660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).