4-amino-2-(2-fluorophenyl)-N-propylbutanamide

C13H19FN2O — CID 112515667

IUPAC4-amino-2-(2-fluorophenyl)-N-propylbutanamide
SMILESCCCNC(=O)C(CCN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-2-9-16-13(17)11(7-8-15)10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyJPTWWLVMCRVXIN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.78
Rot. Bonds6

About 4-amino-2-(2-fluorophenyl)-N-propylbutanamide

4-amino-2-(2-fluorophenyl)-N-propylbutanamide (PubChem CID 112515667) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-2-(2-fluorophenyl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-2-(2-fluorophenyl)-N-propylbutanamide
PubChem CID112515667
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-amino-2-(2-fluorophenyl)-N-propylbutanamide
SMILESCCCNC(=O)C(CCN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-2-9-16-13(17)11(7-8-15)10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyJPTWWLVMCRVXIN-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-fluorophenyl)-N-propylbutanamide?
The IUPAC name of 4-amino-2-(2-fluorophenyl)-N-propylbutanamide (CID 112515667) is 4-amino-2-(2-fluorophenyl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-2-(2-fluorophenyl)-N-propylbutanamide?
The canonical SMILES for 4-amino-2-(2-fluorophenyl)-N-propylbutanamide is CCCNC(=O)C(CCN)c1ccccc1F.
What is the InChIKey of 4-amino-2-(2-fluorophenyl)-N-propylbutanamide?
The InChIKey is JPTWWLVMCRVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-9-16-13(17)11(7-8-15)10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-(2-fluorophenyl)-N-propylbutanamide?
4-amino-2-(2-fluorophenyl)-N-propylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-fluorophenyl)-N-propylbutanamide is sourced from PubChem (CID 112515667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).