N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide

C11H16FN3O — CID 16790935

IUPACN-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-15(2)6-5-11(16)14-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyRXZDBIWYJNIUNZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.30
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide

N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide (PubChem CID 16790935) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
PubChem CID16790935
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-15(2)6-5-11(16)14-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyRXZDBIWYJNIUNZ-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.30
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(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-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide (CID 16790935) is N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide?
The InChIKey is RXZDBIWYJNIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(2)6-5-11(16)14-10-4-3-8(12)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide?
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide has a molecular weight of 225.27 g/mol, XLogP of 1.30, 4 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-(dimethylamino)propanamide is sourced from PubChem (CID 16790935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).