2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide

C15H13BrN2O2 — CID 6084875

IUPAC2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(O)c1
InChIInChI=1S/C15H13BrN2O2/c1-10(11-5-4-6-12(19)9-11)17-18-15(20)13-7-2-3-8-14(13)16/h2-9,19H,1H3,(H,18,20)/b17-10-
InChIKeyFXRUZEZESYIEJT-YVLHZVERSA-N
MW333.19 g/mol
LogP3.31
Rot. Bonds3

About 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide

2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 6084875) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID6084875
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(O)c1
InChIInChI=1S/C15H13BrN2O2/c1-10(11-5-4-6-12(19)9-11)17-18-15(20)13-7-2-3-8-14(13)16/h2-9,19H,1H3,(H,18,20)/b17-10-
InChIKeyFXRUZEZESYIEJT-YVLHZVERSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-bromobenzamide
CID 4301552
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide (CID 6084875) is 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1Br)c1cccc(O)c1.
What is the InChIKey of 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is FXRUZEZESYIEJT-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10(11-5-4-6-12(19)9-11)17-18-15(20)13-7-2-3-8-14(13)16/h2-9,19H,1H3,(H,18,20)/b17-10-.
What are the key properties of 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6084875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).