4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H12BrN3O2 — CID 135576312

IUPAC4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,16H2,(H,18,20)/b17-8+
InChIKeyGTVGSAWZVDIIOA-CAOOACKPSA-N
MW334.17 g/mol
LogP2.50
Rot. Bonds3

About 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135576312) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135576312
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,16H2,(H,18,20)/b17-8+
InChIKeyGTVGSAWZVDIIOA-CAOOACKPSA-N
XLogP2.50
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 9070685
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 142499229
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811
3-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-nitrobenzamide
CID 135822183
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135576312) is 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is GTVGSAWZVDIIOA-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,16H2,(H,18,20)/b17-8+.
What are the key properties of 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135576312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).