5-amino-N-(3,4-difluorophenyl)hexanamide

C12H16F2N2O — CID 82848790

IUPAC5-amino-N-(3,4-difluorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(15)3-2-4-12(17)16-9-5-6-10(13)11(14)7-9/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyXFAFIMYRHCQLJR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.42
Rot. Bonds5

About 5-amino-N-(3,4-difluorophenyl)hexanamide

5-amino-N-(3,4-difluorophenyl)hexanamide (PubChem CID 82848790) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-amino-N-(3,4-difluorophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3,4-difluorophenyl)hexanamide
PubChem CID82848790
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-amino-N-(3,4-difluorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(15)3-2-4-12(17)16-9-5-6-10(13)11(14)7-9/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyXFAFIMYRHCQLJR-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-difluorophenyl)hexanamide?
The IUPAC name of 5-amino-N-(3,4-difluorophenyl)hexanamide (CID 82848790) is 5-amino-N-(3,4-difluorophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(3,4-difluorophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(3,4-difluorophenyl)hexanamide is CC(N)CCCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-amino-N-(3,4-difluorophenyl)hexanamide?
The InChIKey is XFAFIMYRHCQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(15)3-2-4-12(17)16-9-5-6-10(13)11(14)7-9/h5-8H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(3,4-difluorophenyl)hexanamide?
5-amino-N-(3,4-difluorophenyl)hexanamide has a molecular weight of 242.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-difluorophenyl)hexanamide is sourced from PubChem (CID 82848790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).