N'-(4-butylphenyl)-2-fluoroacetohydrazide

C12H17FN2O — CID 23176923

IUPACN'-(4-butylphenyl)-2-fluoroacetohydrazide
SMILESCCCCc1ccc(NNC(=O)CF)cc1
InChIInChI=1S/C12H17FN2O/c1-2-3-4-10-5-7-11(8-6-10)14-15-12(16)9-13/h5-8,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyJCVCNHLVJFKWCZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.44
Rot. Bonds6

About N'-(4-butylphenyl)-2-fluoroacetohydrazide

N'-(4-butylphenyl)-2-fluoroacetohydrazide (PubChem CID 23176923) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N'-(4-butylphenyl)-2-fluoroacetohydrazide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-2-fluoroacetohydrazide
PubChem CID23176923
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN'-(4-butylphenyl)-2-fluoroacetohydrazide
SMILESCCCCc1ccc(NNC(=O)CF)cc1
InChIInChI=1S/C12H17FN2O/c1-2-3-4-10-5-7-11(8-6-10)14-15-12(16)9-13/h5-8,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyJCVCNHLVJFKWCZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.44
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

2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
2-fluoro-N'-phenylacetohydrazide
CID 16862
N'-(4-fluorophenyl)-4-propylbenzohydrazide
CID 2812001
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(3-chloro-4-fluoroanilino)-3-(4-pentylphenyl)urea
CID 2796383
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-dodecylphenyl)-4-fluoro-2,2-bis(2-fluoroacetyl)-3-oxobutanamide
CID 87502156
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
N-[(4-butylphenyl)carbamothioyl]propanamide
CID 4281226

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-2-fluoroacetohydrazide?
The IUPAC name of N'-(4-butylphenyl)-2-fluoroacetohydrazide (CID 23176923) is N'-(4-butylphenyl)-2-fluoroacetohydrazide.
What is the SMILES notation for N'-(4-butylphenyl)-2-fluoroacetohydrazide?
The canonical SMILES for N'-(4-butylphenyl)-2-fluoroacetohydrazide is CCCCc1ccc(NNC(=O)CF)cc1.
What is the InChIKey of N'-(4-butylphenyl)-2-fluoroacetohydrazide?
The InChIKey is JCVCNHLVJFKWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-3-4-10-5-7-11(8-6-10)14-15-12(16)9-13/h5-8,14H,2-4,9H2,1H3,(H,15,16).
What are the key properties of N'-(4-butylphenyl)-2-fluoroacetohydrazide?
N'-(4-butylphenyl)-2-fluoroacetohydrazide has a molecular weight of 224.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-2-fluoroacetohydrazide is sourced from PubChem (CID 23176923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).