5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide

C12H15FN2O — CID 153370434

IUPAC5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
SMILESC=C(CCN)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-9(6-7-14)8-12(16)15-11-4-2-10(13)3-5-11/h2-5H,1,6-8,14H2,(H,15,16)
InChIKeyXJVARNSOGCBZEB-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.06
Rot. Bonds5

About 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide

5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide (PubChem CID 153370434) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide.

Molecular Properties

Compound Name5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
PubChem CID153370434
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
SMILESC=C(CCN)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-9(6-7-14)8-12(16)15-11-4-2-10(13)3-5-11/h2-5H,1,6-8,14H2,(H,15,16)
InChIKeyXJVARNSOGCBZEB-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)propanediamide
CID 18174009
3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
CID 166896887
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
6-chloro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]pyridine-3-carboxamide
CID 166896854
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide?
The IUPAC name of 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide (CID 153370434) is 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide.
What is the SMILES notation for 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide?
The canonical SMILES for 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide is C=C(CCN)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide?
The InChIKey is XJVARNSOGCBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9(6-7-14)8-12(16)15-11-4-2-10(13)3-5-11/h2-5H,1,6-8,14H2,(H,15,16).
What are the key properties of 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide?
5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide has a molecular weight of 222.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide is sourced from PubChem (CID 153370434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).