4-chloro-N'-(2-fluorophenyl)butanehydrazide

C10H12ClFN2O — CID 175309913

IUPAC4-chloro-N'-(2-fluorophenyl)butanehydrazide
SMILESO=C(CCCCl)NNc1ccccc1F
InChIInChI=1S/C10H12ClFN2O/c11-7-3-6-10(15)14-13-9-5-2-1-4-8(9)12/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeySVNYTDORWHKEOU-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-N'-(2-fluorophenyl)butanehydrazide

4-chloro-N'-(2-fluorophenyl)butanehydrazide (PubChem CID 175309913) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-chloro-N'-(2-fluorophenyl)butanehydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-fluorophenyl)butanehydrazide
PubChem CID175309913
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name4-chloro-N'-(2-fluorophenyl)butanehydrazide
SMILESO=C(CCCCl)NNc1ccccc1F
InChIInChI=1S/C10H12ClFN2O/c11-7-3-6-10(15)14-13-9-5-2-1-4-8(9)12/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeySVNYTDORWHKEOU-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
CID 108570802
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N-(2-fluorophenyl)hexanamide
CID 3481165
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
CID 143636420
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
2-(7-chloroheptanoylamino)benzamide
CID 139930503
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-fluorophenyl)butanehydrazide?
The IUPAC name of 4-chloro-N'-(2-fluorophenyl)butanehydrazide (CID 175309913) is 4-chloro-N'-(2-fluorophenyl)butanehydrazide.
What is the SMILES notation for 4-chloro-N'-(2-fluorophenyl)butanehydrazide?
The canonical SMILES for 4-chloro-N'-(2-fluorophenyl)butanehydrazide is O=C(CCCCl)NNc1ccccc1F.
What is the InChIKey of 4-chloro-N'-(2-fluorophenyl)butanehydrazide?
The InChIKey is SVNYTDORWHKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-3-6-10(15)14-13-9-5-2-1-4-8(9)12/h1-2,4-5,13H,3,6-7H2,(H,14,15).
What are the key properties of 4-chloro-N'-(2-fluorophenyl)butanehydrazide?
4-chloro-N'-(2-fluorophenyl)butanehydrazide has a molecular weight of 230.67 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-fluorophenyl)butanehydrazide is sourced from PubChem (CID 175309913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).