4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide

C12H16F2N2O2 — CID 54937600

IUPAC4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c13-8-3-4-9(10(14)6-8)11(17)7-16-5-1-2-12(15)18/h3-4,6,11,16-17H,1-2,5,7H2,(H2,15,18)
InChIKeyONYGFKFSPXOINQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.85
Rot. Bonds7

About 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide

4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide (PubChem CID 54937600) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
PubChem CID54937600
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c13-8-3-4-9(10(14)6-8)11(17)7-16-5-1-2-12(15)18/h3-4,6,11,16-17H,1-2,5,7H2,(H2,15,18)
InChIKeyONYGFKFSPXOINQ-UHFFFAOYSA-N
XLogP0.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide?
The IUPAC name of 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide (CID 54937600) is 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide.
What is the SMILES notation for 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide?
The canonical SMILES for 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide is NC(=O)CCCNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide?
The InChIKey is ONYGFKFSPXOINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-8-3-4-9(10(14)6-8)11(17)7-16-5-1-2-12(15)18/h3-4,6,11,16-17H,1-2,5,7H2,(H2,15,18).
What are the key properties of 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide?
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide has a molecular weight of 258.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide is sourced from PubChem (CID 54937600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).