3-bromo-N-(2-phenylethylideneamino)benzamide

C15H13BrN2O — CID 4684181

IUPAC3-bromo-N-(2-phenylethylideneamino)benzamide
SMILESO=C(NN=CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O/c16-14-8-4-7-13(11-14)15(19)18-17-10-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19)
InChIKeyWPDCZMHJAWKGFF-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.41
Rot. Bonds4

About 3-bromo-N-(2-phenylethylideneamino)benzamide

3-bromo-N-(2-phenylethylideneamino)benzamide (PubChem CID 4684181) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylethylideneamino)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-phenylethylideneamino)benzamide
PubChem CID4684181
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-bromo-N-(2-phenylethylideneamino)benzamide
SMILESO=C(NN=CCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O/c16-14-8-4-7-13(11-14)15(19)18-17-10-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19)
InChIKeyWPDCZMHJAWKGFF-UHFFFAOYSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.41
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

N-[(Z)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135680192
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640
N-[2-(4-chlorophenyl)ethylideneamino]benzamide
CID 123356691
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
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3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-benzoyl-3-bromobenzamide
CID 118577200
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
CID 135642241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylethylideneamino)benzamide?
The IUPAC name of 3-bromo-N-(2-phenylethylideneamino)benzamide (CID 4684181) is 3-bromo-N-(2-phenylethylideneamino)benzamide.
What is the SMILES notation for 3-bromo-N-(2-phenylethylideneamino)benzamide?
The canonical SMILES for 3-bromo-N-(2-phenylethylideneamino)benzamide is O=C(NN=CCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-phenylethylideneamino)benzamide?
The InChIKey is WPDCZMHJAWKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-14-8-4-7-13(11-14)15(19)18-17-10-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19).
What are the key properties of 3-bromo-N-(2-phenylethylideneamino)benzamide?
3-bromo-N-(2-phenylethylideneamino)benzamide has a molecular weight of 317.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-phenylethylideneamino)benzamide is sourced from PubChem (CID 4684181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).