3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide

C15H21F2NO2 — CID 111447050

IUPAC3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)14(17)8-12/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20)
InChIKeyHBUJPFXLCBZSKG-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.42
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide

3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide (PubChem CID 111447050) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
PubChem CID111447050
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)14(17)8-12/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20)
InChIKeyHBUJPFXLCBZSKG-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methylphenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 96570209
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 46480844
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
(2R)-2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79010917
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 139007179

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide (CID 111447050) is 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide is CC(O)CC(C)CNC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
The InChIKey is HBUJPFXLCBZSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)14(17)8-12/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide has a molecular weight of 285.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide is sourced from PubChem (CID 111447050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).