2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide

C12H18FN3O — CID 43136261

IUPAC2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
SMILESCNC(=O)CN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-15-12(17)9-16(8-2-7-14)11-5-3-10(13)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyGKZVGLPVJPJBLO-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.73
Rot. Bonds6

About 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide

2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide (PubChem CID 43136261) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
PubChem CID43136261
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
SMILESCNC(=O)CN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-15-12(17)9-16(8-2-7-14)11-5-3-10(13)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyGKZVGLPVJPJBLO-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide
CID 62627730
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide (CID 43136261) is 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide is CNC(=O)CN(CCCN)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide?
The InChIKey is GKZVGLPVJPJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15-12(17)9-16(8-2-7-14)11-5-3-10(13)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide?
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide has a molecular weight of 239.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide is sourced from PubChem (CID 43136261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).