N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide

C19H21F2NO2 — CID 111451449

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-2-13(14-7-4-3-5-8-14)11-18(24)22-12-17(23)19-15(20)9-6-10-16(19)21/h3-10,13,17,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyKJSDLRNDTJYGDZ-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide (PubChem CID 111451449) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
PubChem CID111451449
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
SMILESCCC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-2-13(14-7-4-3-5-8-14)11-18(24)22-12-17(23)19-15(20)9-6-10-16(19)21/h3-10,13,17,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyKJSDLRNDTJYGDZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451423
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953969
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide (CID 111451449) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide is CCC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide?
The InChIKey is KJSDLRNDTJYGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-2-13(14-7-4-3-5-8-14)11-18(24)22-12-17(23)19-15(20)9-6-10-16(19)21/h3-10,13,17,23H,2,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide has a molecular weight of 333.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide is sourced from PubChem (CID 111451449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).