N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide

C15H12BrFN2O4 — CID 27693652

IUPACN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESO=C(COc1ccc(Br)cc1F)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H12BrFN2O4/c16-9-5-6-13(11(17)7-9)23-8-14(21)18-19-15(22)10-3-1-2-4-12(10)20/h1-7,20H,8H2,(H,18,21)(H,19,22)
InChIKeyZKYTXTYQKVRSAA-UHFFFAOYSA-N
MW383.17 g/mol
LogP2.13
Rot. Bonds4

About N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide

N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide (PubChem CID 27693652) has the molecular formula C15H12BrFN2O4 and a molecular weight of 383.17 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
PubChem CID27693652
Molecular FormulaC15H12BrFN2O4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESO=C(COc1ccc(Br)cc1F)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H12BrFN2O4/c16-9-5-6-13(11(17)7-9)23-8-14(21)18-19-15(22)10-3-1-2-4-12(10)20/h1-7,20H,8H2,(H,18,21)(H,19,22)
InChIKeyZKYTXTYQKVRSAA-UHFFFAOYSA-N
XLogP2.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26920313
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 34574346
N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 56516276
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
3-[[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 27226524
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 17051880

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide (CID 27693652) is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide is O=C(COc1ccc(Br)cc1F)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is ZKYTXTYQKVRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O4/c16-9-5-6-13(11(17)7-9)23-8-14(21)18-19-15(22)10-3-1-2-4-12(10)20/h1-7,20H,8H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 383.17 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 27693652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).