N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide

C16H15FN2O2 — CID 7759216

IUPACN'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-11-6-8-12(9-7-11)15(20)18-19-16(21)13-4-3-5-14(17)10-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyKGUHVHBNVRAZLM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.46
Rot. Bonds3

About N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide

N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide (PubChem CID 7759216) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
PubChem CID7759216
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-11-6-8-12(9-7-11)15(20)18-19-16(21)13-4-3-5-14(17)10-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyKGUHVHBNVRAZLM-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.46
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'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N'-butyl-3-fluorobenzohydrazide
CID 118418454
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
3-fluoro-N'-sulfanylbenzohydrazide
CID 174650395
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-hydroxybenzamide
CID 5082377
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 8879631

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide (CID 7759216) is N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide is CCc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide?
The InChIKey is KGUHVHBNVRAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-11-6-8-12(9-7-11)15(20)18-19-16(21)13-4-3-5-14(17)10-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide?
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide has a molecular weight of 286.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide is sourced from PubChem (CID 7759216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).