N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide

C15H24FN3O2 — CID 62984089

IUPACN-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
SMILESCOCCCN(C)CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O2/c1-19(9-4-10-21-2)8-3-5-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyYIMPRWBOLUVVBF-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.09
Rot. Bonds9

About N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide

N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide (PubChem CID 62984089) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
PubChem CID62984089
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC NameN-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
SMILESCOCCCN(C)CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H24FN3O2/c1-19(9-4-10-21-2)8-3-5-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyYIMPRWBOLUVVBF-UHFFFAOYSA-N
XLogP2.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(5-amino-2-fluorophenyl)-3-(3-methoxypropylsulfonyl)propanamide
CID 63857581
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide (CID 62984089) is N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide is COCCCN(C)CCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The InChIKey is YIMPRWBOLUVVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-19(9-4-10-21-2)8-3-5-15(20)18-14-11-12(17)6-7-13(14)16/h6-7,11H,3-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide has a molecular weight of 297.37 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide is sourced from PubChem (CID 62984089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).