3-amino-N-(3,4-difluorophenyl)butanamide

C10H12F2N2O — CID 60835672

IUPAC3-amino-N-(3,4-difluorophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)4-10(15)14-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyIXSXIWJBANJIQY-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.64
Rot. Bonds3

About 3-amino-N-(3,4-difluorophenyl)butanamide

3-amino-N-(3,4-difluorophenyl)butanamide (PubChem CID 60835672) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-amino-N-(3,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-difluorophenyl)butanamide
PubChem CID60835672
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-amino-N-(3,4-difluorophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)4-10(15)14-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyIXSXIWJBANJIQY-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
5-(3-aminobutanoylamino)-2-fluorobenzamide
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5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
CID 119772469
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-difluorophenyl)butanamide?
The IUPAC name of 3-amino-N-(3,4-difluorophenyl)butanamide (CID 60835672) is 3-amino-N-(3,4-difluorophenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3,4-difluorophenyl)butanamide?
The canonical SMILES for 3-amino-N-(3,4-difluorophenyl)butanamide is CC(N)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-N-(3,4-difluorophenyl)butanamide?
The InChIKey is IXSXIWJBANJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(13)4-10(15)14-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3,4-difluorophenyl)butanamide?
3-amino-N-(3,4-difluorophenyl)butanamide has a molecular weight of 214.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-difluorophenyl)butanamide is sourced from PubChem (CID 60835672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).