N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide

C15H13BrN2O — CID 4129922

IUPACN-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O/c1-11-5-2-3-8-14(11)15(19)18-17-10-12-6-4-7-13(16)9-12/h2-10H,1H3,(H,18,19)
InChIKeyQFSNSUZDSYVNQE-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.52
Rot. Bonds3

About N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide

N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide (PubChem CID 4129922) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
PubChem CID4129922
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O/c1-11-5-2-3-8-14(11)15(19)18-17-10-12-6-4-7-13(16)9-12/h2-10H,1H3,(H,18,19)
InChIKeyQFSNSUZDSYVNQE-UHFFFAOYSA-N
XLogP3.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.52
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'}

Analyze N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
[2-methoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 45054704
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
CID 19060941
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 2253634

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide (CID 4129922) is N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is QFSNSUZDSYVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-11-5-2-3-8-14(11)15(19)18-17-10-12-6-4-7-13(16)9-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide?
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 317.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 4129922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).