N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide

C16H15FN2O2 — CID 25326926

IUPACN'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1cccc(F)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c17-14-8-4-5-12(11-14)9-10-15(20)18-19-16(21)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,18,20)(H,19,21)
InChIKeyCQORONAJQWYQEY-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.22
Rot. Bonds4

About N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide

N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide (PubChem CID 25326926) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
PubChem CID25326926
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1cccc(F)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c17-14-8-4-5-12(11-14)9-10-15(20)18-19-16(21)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,18,20)(H,19,21)
InChIKeyCQORONAJQWYQEY-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.22
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-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
CID 31949955
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
CID 51277577
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide (CID 25326926) is N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide is O=C(CCc1cccc(F)c1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide?
The InChIKey is CQORONAJQWYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-14-8-4-5-12(11-14)9-10-15(20)18-19-16(21)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide?
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide has a molecular weight of 286.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 25326926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).