3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide

C15H22FN3O — CID 62627730

IUPAC3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide
SMILESNCCCN(CCC(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c16-12-2-6-14(7-3-12)19(10-1-9-17)11-8-15(20)18-13-4-5-13/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,20)
InChIKeyXLQVDJQZHLOPKM-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.65
Rot. Bonds8

About 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide

3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide (PubChem CID 62627730) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide
PubChem CID62627730
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide
SMILESNCCCN(CCC(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c16-12-2-6-14(7-3-12)19(10-1-9-17)11-8-15(20)18-13-4-5-13/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,20)
InChIKeyXLQVDJQZHLOPKM-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
CID 62628089
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552293
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
3-[N-[3-(dimethylamino)propyl]-4-fluoroanilino]propanoic acid
CID 82319968
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide (CID 62627730) is 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide is NCCCN(CCC(=O)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide?
The InChIKey is XLQVDJQZHLOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-12-2-6-14(7-3-12)19(10-1-9-17)11-8-15(20)18-13-4-5-13/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,20).
What are the key properties of 3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide?
3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide has a molecular weight of 279.36 g/mol, XLogP of 1.65, 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)-4-fluoroanilino]-N-cyclopropylpropanamide is sourced from PubChem (CID 62627730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).