N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide

C13H20FN3O — CID 16795601

IUPACN-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H20FN3O/c1-9(2)17(3)7-6-13(18)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyKWDSTCAXXVNXDY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.08
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide (PubChem CID 16795601) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
PubChem CID16795601
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H20FN3O/c1-9(2)17(3)7-6-13(18)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyKWDSTCAXXVNXDY-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.08
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(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
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N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
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N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide (CID 16795601) is N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide is CC(C)N(C)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The InChIKey is KWDSTCAXXVNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)17(3)7-6-13(18)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.08, 5 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-[methyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 16795601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).