N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide

C15H12ClFN2O2 — CID 4811592

IUPACN'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C15H12ClFN2O2/c16-12-7-4-8-13(17)11(12)9-14(20)18-19-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyIBBZMWFFKTWLQY-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.48
Rot. Bonds3

About N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide

N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide (PubChem CID 4811592) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
PubChem CID4811592
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C15H12ClFN2O2/c16-12-7-4-8-13(17)11(12)9-14(20)18-19-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyIBBZMWFFKTWLQY-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 8879631
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 8871605
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
CID 2780091
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide (CID 4811592) is N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide is O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide?
The InChIKey is IBBZMWFFKTWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-12-7-4-8-13(17)11(12)9-14(20)18-19-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide?
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide has a molecular weight of 306.72 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 4811592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).