2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide

C14H19F2NO2 — CID 103862391

IUPAC2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO2/c1-10(9-18)4-3-7-17-13(19)8-11-5-2-6-12(15)14(11)16/h2,5-6,10,18H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyXQMJOESNFJCVIR-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.03
Rot. Bonds7

About 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862391) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862391
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO2/c1-10(9-18)4-3-7-17-13(19)8-11-5-2-6-12(15)14(11)16/h2,5-6,10,18H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyXQMJOESNFJCVIR-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862391) is 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is XQMJOESNFJCVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-10(9-18)4-3-7-17-13(19)8-11-5-2-6-12(15)14(11)16/h2,5-6,10,18H,3-4,7-9H2,1H3,(H,17,19).
What are the key properties of 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 271.31 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).