3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

C16H15BrN2O2 — CID 54777660

IUPAC3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c(Br)c1)c1cccc(O)c1
InChIInChI=1S/C16H15BrN2O2/c1-10-6-7-13(9-15(10)17)16(21)19-18-11(2)12-4-3-5-14(20)8-12/h3-9,20H,1-2H3,(H,19,21)/b18-11-
InChIKeyOJSGELNGWNIWET-WQRHYEAKSA-N
MW347.21 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (PubChem CID 54777660) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
PubChem CID54777660
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)c(Br)c1)c1cccc(O)c1
InChIInChI=1S/C16H15BrN2O2/c1-10-6-7-13(9-15(10)17)16(21)19-18-11(2)12-4-3-5-14(20)8-12/h3-9,20H,1-2H3,(H,19,21)/b18-11-
InChIKeyOJSGELNGWNIWET-WQRHYEAKSA-N
XLogP3.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.62
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

3-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 135418721
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
3-bromo-N-(3,3-dimethylbutan-2-ylideneamino)-4-methylbenzamide
CID 922187
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (CID 54777660) is 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)c(Br)c1)c1cccc(O)c1.
What is the InChIKey of 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The InChIKey is OJSGELNGWNIWET-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-6-7-13(9-15(10)17)16(21)19-18-11(2)12-4-3-5-14(20)8-12/h3-9,20H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide has a molecular weight of 347.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 54777660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).