2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide

C15H20FN3O — CID 4621880

IUPAC2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1=C(NNC(=O)CNc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,17-18H,2-5,10H2,1H3,(H,19,20)
InChIKeyXVKUWJMHGFOIAO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide

2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide (PubChem CID 4621880) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
PubChem CID4621880
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1=C(NNC(=O)CNc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,17-18H,2-5,10H2,1H3,(H,19,20)
InChIKeyXVKUWJMHGFOIAO-UHFFFAOYSA-N
XLogP2.71
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
CID 5077247
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
ethyl 2-[[2-(4-fluoroanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2111528
N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
CID 130686411
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
The IUPAC name of 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide (CID 4621880) is 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide is CC1=C(NNC(=O)CNc2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
The InChIKey is XVKUWJMHGFOIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,17-18H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide has a molecular weight of 277.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide is sourced from PubChem (CID 4621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).