2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide

C14H22FN3O — CID 43319058

IUPAC2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H22FN3O/c1-3-17-14(19)11(2)18(9-5-8-16)13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyPOIKQBHLPOTSPH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds7

About 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide

2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide (PubChem CID 43319058) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
PubChem CID43319058
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H22FN3O/c1-3-17-14(19)11(2)18(9-5-8-16)13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyPOIKQBHLPOTSPH-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
2-[N-(3-aminopropyl)-3-methylanilino]-N-tert-butylpropanamide
CID 43136095
2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
N-ethyl-2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 132613292
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide?
The IUPAC name of 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide (CID 43319058) is 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide is CCNC(=O)C(C)N(CCCN)c1cccc(F)c1.
What is the InChIKey of 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide?
The InChIKey is POIKQBHLPOTSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-17-14(19)11(2)18(9-5-8-16)13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide?
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide is sourced from PubChem (CID 43319058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).