N'-(4-fluorophenyl)-4-propylbenzohydrazide

C16H17FN2O — CID 2812001

IUPACN'-(4-fluorophenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-3-12-4-6-13(7-5-12)16(20)19-18-15-10-8-14(17)9-11-15/h4-11,18H,2-3H2,1H3,(H,19,20)
InChIKeyJMNKDAGJMDHCRO-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.54
Rot. Bonds5

About N'-(4-fluorophenyl)-4-propylbenzohydrazide

N'-(4-fluorophenyl)-4-propylbenzohydrazide (PubChem CID 2812001) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-4-propylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-4-propylbenzohydrazide
PubChem CID2812001
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN'-(4-fluorophenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-3-12-4-6-13(7-5-12)16(20)19-18-15-10-8-14(17)9-11-15/h4-11,18H,2-3H2,1H3,(H,19,20)
InChIKeyJMNKDAGJMDHCRO-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.54
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'-hydroxy-4-propylbenzohydrazide
CID 18359035
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
1-fluoro-4-propylbenzene
CID 2737505
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N'-(4-fluorophenyl)-4-(4-hydroxyphenoxy)benzohydrazide
CID 172676933
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N'-(4-butylphenyl)-2-fluoroacetohydrazide
CID 23176923
1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide
CID 122632925
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
N'-(4-chloro-2-methylphenyl)-4-propylbenzohydrazide
CID 2811343

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-4-propylbenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-4-propylbenzohydrazide (CID 2812001) is N'-(4-fluorophenyl)-4-propylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-4-propylbenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-4-propylbenzohydrazide is CCCc1ccc(C(=O)NNc2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-4-propylbenzohydrazide?
The InChIKey is JMNKDAGJMDHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-3-12-4-6-13(7-5-12)16(20)19-18-15-10-8-14(17)9-11-15/h4-11,18H,2-3H2,1H3,(H,19,20).
What are the key properties of N'-(4-fluorophenyl)-4-propylbenzohydrazide?
N'-(4-fluorophenyl)-4-propylbenzohydrazide has a molecular weight of 272.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-4-propylbenzohydrazide is sourced from PubChem (CID 2812001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).