N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide

C17H16ClFN2O2 — CID 8879631

IUPACN'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-2-11-6-8-12(9-7-11)17(23)21-20-16(22)10-13-14(18)4-3-5-15(13)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZCOYSBKMWRLYOA-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.05
Rot. Bonds4

About N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide

N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide (PubChem CID 8879631) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
PubChem CID8879631
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-2-11-6-8-12(9-7-11)17(23)21-20-16(22)10-13-14(18)4-3-5-15(13)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZCOYSBKMWRLYOA-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.05
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]benzohydrazide
CID 4811592
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 47798006
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 55857179
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide (CID 8879631) is N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
The InChIKey is ZCOYSBKMWRLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-2-11-6-8-12(9-7-11)17(23)21-20-16(22)10-13-14(18)4-3-5-15(13)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide?
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide has a molecular weight of 334.78 g/mol, XLogP of 3.05, 4 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]-4-ethylbenzohydrazide is sourced from PubChem (CID 8879631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).