3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide

C15H23FN2O — CID 112631456

IUPAC3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(CC)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-3-10-18-15(19)9-11-17-14(4-2)12-7-5-6-8-13(12)16/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyQYODQODEGYRUPJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds8

About 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide

3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide (PubChem CID 112631456) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
PubChem CID112631456
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(CC)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-3-10-18-15(19)9-11-17-14(4-2)12-7-5-6-8-13(12)16/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyQYODQODEGYRUPJ-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 61021836
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
4-amino-2-(2-fluorophenyl)-N-propylbutanamide
CID 112515667

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide?
The IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide (CID 112631456) is 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide is CCCNC(=O)CCNC(CC)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide?
The InChIKey is QYODQODEGYRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-10-18-15(19)9-11-17-14(4-2)12-7-5-6-8-13(12)16/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide?
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide has a molecular weight of 266.36 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide is sourced from PubChem (CID 112631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).