N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide

C19H21F2NO2 — CID 111335375

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
SMILESCC(O)(CNC(=O)CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2NO2/c1-19(24,16-11-10-15(20)12-17(16)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,24H,5,8-9,13H2,1H3,(H,22,23)
InChIKeyYGHNLGLICNXPBC-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide (PubChem CID 111335375) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
PubChem CID111335375
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
SMILESCC(O)(CNC(=O)CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2NO2/c1-19(24,16-11-10-15(20)12-17(16)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,24H,5,8-9,13H2,1H3,(H,22,23)
InChIKeyYGHNLGLICNXPBC-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
CID 109476951
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
2-benzyl-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,1-dimethylguanidine
CID 111823733
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
2-benzyl-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,1-dimethylguanidine;hydroiodide
CID 111823732
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide (CID 111335375) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide is CC(O)(CNC(=O)CCCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide?
The InChIKey is YGHNLGLICNXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-19(24,16-11-10-15(20)12-17(16)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,24H,5,8-9,13H2,1H3,(H,22,23).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide has a molecular weight of 333.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide is sourced from PubChem (CID 111335375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).