4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide

C15H24FN3O — CID 120564944

IUPAC4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCN(C)c1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-12(17)8-9-15(20)18-10-5-11-19(2)14-7-4-3-6-13(14)16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyFXJVMRGTWWXUQQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds8

About 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide

4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide (PubChem CID 120564944) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
PubChem CID120564944
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCN(C)c1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-12(17)8-9-15(20)18-10-5-11-19(2)14-7-4-3-6-13(14)16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyFXJVMRGTWWXUQQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
(E)-N-[2-[3-(2-fluoro-N-methylanilino)propylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55953718
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(2-fluoro-N-methylanilino)propyl]propanamide
CID 55907635
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 55908417
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
N-[(2R)-1-[3-(2-fluoro-N-methylanilino)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94796085
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide (CID 120564944) is 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide is CC(N)CCC(=O)NCCCN(C)c1ccccc1F.
What is the InChIKey of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide?
The InChIKey is FXJVMRGTWWXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-12(17)8-9-15(20)18-10-5-11-19(2)14-7-4-3-6-13(14)16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide?
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide has a molecular weight of 281.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide is sourced from PubChem (CID 120564944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).