N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

C15H22FN3O — CID 43568695

IUPACN-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H22FN3O/c1-10(11-3-4-11)19(2)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9-11H,3-4,7-8,17H2,1-2H3,(H,18,20)
InChIKeySSUGKLHXLWQUDI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.47
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (PubChem CID 43568695) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
PubChem CID43568695
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H22FN3O/c1-10(11-3-4-11)19(2)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9-11H,3-4,7-8,17H2,1-2H3,(H,18,20)
InChIKeySSUGKLHXLWQUDI-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914617
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (CID 43568695) is N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is CC(C1CC1)N(C)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The InChIKey is SSUGKLHXLWQUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(11-3-4-11)19(2)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9-11H,3-4,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is sourced from PubChem (CID 43568695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).