3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride

C11H15ClF2N2O — CID 119708041

IUPAC3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13;/h2-3,5,7H,4,6,14H2,1H3,(H,15,16);1H
InChIKeyGQFHFXSDTBZVPA-UHFFFAOYSA-N
MW264.70 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride

3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride (PubChem CID 119708041) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
PubChem CID119708041
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13;/h2-3,5,7H,4,6,14H2,1H3,(H,15,16);1H
InChIKeyGQFHFXSDTBZVPA-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride (CID 119708041) is 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccc(F)cc1F.Cl.
What is the InChIKey of 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride?
The InChIKey is GQFHFXSDTBZVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13;/h2-3,5,7H,4,6,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride?
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119708041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).