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

C14H22FN3O — CID 62326935

IUPAC3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(CCCN)c1ccccc1F
InChIInChI=1S/C14H22FN3O/c1-2-17-14(19)8-11-18(10-5-9-16)13-7-4-3-6-12(13)15/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,19)
InChIKeyQIIAUQNPZKKVNC-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds8

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

3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide (PubChem CID 62326935) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
PubChem CID62326935
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(CCCN)c1ccccc1F
InChIInChI=1S/C14H22FN3O/c1-2-17-14(19)8-11-18(10-5-9-16)13-7-4-3-6-12(13)15/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,19)
InChIKeyQIIAUQNPZKKVNC-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(2-fluorophenyl)urea
CID 43164865
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide?
The IUPAC name of 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide (CID 62326935) is 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide.
What is the SMILES notation for 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide?
The canonical SMILES for 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide is CCNC(=O)CCN(CCCN)c1ccccc1F.
What is the InChIKey of 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide?
The InChIKey is QIIAUQNPZKKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-2-17-14(19)8-11-18(10-5-9-16)13-7-4-3-6-12(13)15/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,19).
What are the key properties of 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide?
3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide is sourced from PubChem (CID 62326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).