N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide

C14H10BrFN2O2 — CID 137362027

IUPACN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2O2/c15-11-5-4-10(13(19)7-11)8-17-18-14(20)9-2-1-3-12(16)6-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyNRQYKPZFLDEPOG-CAOOACKPSA-N
MW337.15 g/mol
LogP3.06
Rot. Bonds3

About N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 137362027) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID137362027
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2O2/c15-11-5-4-10(13(19)7-11)8-17-18-14(20)9-2-1-3-12(16)6-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyNRQYKPZFLDEPOG-CAOOACKPSA-N
XLogP3.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chel 180
CID 135445765
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
2-bromo-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135460546
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-(4-bromobenzoyl)-2-hydroxybenzohydrazide
CID 812993

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide (CID 137362027) is N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide is O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(F)c1.
What is the InChIKey of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is NRQYKPZFLDEPOG-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-5-4-10(13(19)7-11)8-17-18-14(20)9-2-1-3-12(16)6-9/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 337.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 137362027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).