2-amino-N-(2,4-difluorophenyl)butanamide

C10H12F2N2O — CID 43649437

IUPAC2-amino-N-(2,4-difluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O/c1-2-8(13)10(15)14-9-4-3-6(11)5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyXESJJRTUBMXHKJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-N-(2,4-difluorophenyl)butanamide

2-amino-N-(2,4-difluorophenyl)butanamide (PubChem CID 43649437) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-amino-N-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-difluorophenyl)butanamide
PubChem CID43649437
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-amino-N-(2,4-difluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O/c1-2-8(13)10(15)14-9-4-3-6(11)5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyXESJJRTUBMXHKJ-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

2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
4-[[(2S)-2-aminobutanoyl]amino]-3-fluorobenzoic acid
CID 79023474
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
2-(2-aminobutanoylamino)-4-fluorobenzoic acid
CID 61156854
(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
CID 79023514
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-difluorophenyl)butanamide?
The IUPAC name of 2-amino-N-(2,4-difluorophenyl)butanamide (CID 43649437) is 2-amino-N-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(2,4-difluorophenyl)butanamide?
The canonical SMILES for 2-amino-N-(2,4-difluorophenyl)butanamide is CCC(N)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-(2,4-difluorophenyl)butanamide?
The InChIKey is XESJJRTUBMXHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-2-8(13)10(15)14-9-4-3-6(11)5-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(2,4-difluorophenyl)butanamide?
2-amino-N-(2,4-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 2-amino-N-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 43649437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).