4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

C15H13BrN2O — CID 5407444

IUPAC4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O/c1-11-3-2-4-12(9-11)10-17-18-15(19)13-5-7-14(16)8-6-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyRBWRBAVQTUQHOZ-YVLHZVERSA-N
MW317.19 g/mol
LogP3.52
Rot. Bonds3

About 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 5407444) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID5407444
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O/c1-11-3-2-4-12(9-11)10-17-18-15(19)13-5-7-14(16)8-6-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyRBWRBAVQTUQHOZ-YVLHZVERSA-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'}

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Related Compounds

4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (CID 5407444) is 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is RBWRBAVQTUQHOZ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-11-3-2-4-12(9-11)10-17-18-15(19)13-5-7-14(16)8-6-13/h2-10H,1H3,(H,18,19)/b17-10-.
What are the key properties of 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide 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 4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5407444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).