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

C15H12ClFN2O4 — CID 27698260

IUPACN'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESO=C(COc1ccc(F)cc1Cl)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H12ClFN2O4/c16-11-7-9(17)5-6-13(11)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)
InChIKeyNANMSBCBWXOTIZ-UHFFFAOYSA-N
MW338.72 g/mol
LogP2.02
Rot. Bonds4

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

N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide (PubChem CID 27698260) has the molecular formula C15H12ClFN2O4 and a molecular weight of 338.72 g/mol. Its IUPAC name is N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
PubChem CID27698260
Molecular FormulaC15H12ClFN2O4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC NameN'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESO=C(COc1ccc(F)cc1Cl)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H12ClFN2O4/c16-11-7-9(17)5-6-13(11)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)
InChIKeyNANMSBCBWXOTIZ-UHFFFAOYSA-N
XLogP2.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 52.02
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-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 9428415
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55628971
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide (CID 27698260) is N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide is O=C(COc1ccc(F)cc1Cl)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is NANMSBCBWXOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4/c16-11-7-9(17)5-6-13(11)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-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide?
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 338.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 27698260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).