3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide

C17H17F3N2O2 — CID 111448247

IUPAC3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
SMILESNC(=O)CCN(CC(O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C17H17F3N2O2/c18-11-1-4-13(5-2-11)22(8-7-17(21)24)10-16(23)14-6-3-12(19)9-15(14)20/h1-6,9,16,23H,7-8,10H2,(H2,21,24)
InChIKeyAILRBLNBZLIWFI-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.52
Rot. Bonds7

About 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide

3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide (PubChem CID 111448247) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
PubChem CID111448247
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
SMILESNC(=O)CCN(CC(O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C17H17F3N2O2/c18-11-1-4-13(5-2-11)22(8-7-17(21)24)10-16(23)14-6-3-12(19)9-15(14)20/h1-6,9,16,23H,7-8,10H2,(H2,21,24)
InChIKeyAILRBLNBZLIWFI-UHFFFAOYSA-N
XLogP2.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
methyl 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-ethylamino]propanoate
CID 110910651
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
2-[bis(prop-2-ynyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111490393
3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
CID 86891133
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110897731
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide?
The IUPAC name of 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide (CID 111448247) is 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide is NC(=O)CCN(CC(O)c1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide?
The InChIKey is AILRBLNBZLIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-11-1-4-13(5-2-11)22(8-7-17(21)24)10-16(23)14-6-3-12(19)9-15(14)20/h1-6,9,16,23H,7-8,10H2,(H2,21,24).
What are the key properties of 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide?
3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide has a molecular weight of 338.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 111448247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).