3-(3,4-difluorophenyl)-3-(propylamino)butanamide

C13H18F2N2O — CID 65235585

IUPAC3-(3,4-difluorophenyl)-3-(propylamino)butanamide
SMILESCCCNC(C)(CC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-6-17-13(2,8-12(16)18)9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,8H2,1-2H3,(H2,16,18)
InChIKeyNTRKBXDOEMBUQT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.06
Rot. Bonds6

About 3-(3,4-difluorophenyl)-3-(propylamino)butanamide

3-(3,4-difluorophenyl)-3-(propylamino)butanamide (PubChem CID 65235585) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-3-(propylamino)butanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-3-(propylamino)butanamide
PubChem CID65235585
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(3,4-difluorophenyl)-3-(propylamino)butanamide
SMILESCCCNC(C)(CC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-6-17-13(2,8-12(16)18)9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,8H2,1-2H3,(H2,16,18)
InChIKeyNTRKBXDOEMBUQT-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-3-(propylamino)butanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-3-(propylamino)butanamide (CID 65235585) is 3-(3,4-difluorophenyl)-3-(propylamino)butanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-3-(propylamino)butanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-3-(propylamino)butanamide is CCCNC(C)(CC(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-3-(propylamino)butanamide?
The InChIKey is NTRKBXDOEMBUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-6-17-13(2,8-12(16)18)9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-(3,4-difluorophenyl)-3-(propylamino)butanamide?
3-(3,4-difluorophenyl)-3-(propylamino)butanamide has a molecular weight of 256.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-3-(propylamino)butanamide is sourced from PubChem (CID 65235585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).