2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide

C15H21F2NO2 — CID 103747763

IUPAC2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-3-10(4-2)13(19)9-18-14(20)8-11-6-5-7-12(16)15(11)17/h5-7,10,13,19H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyKAKZZZAZQJZLJI-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.42
Rot. Bonds7

About 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide

2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide (PubChem CID 103747763) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
PubChem CID103747763
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-3-10(4-2)13(19)9-18-14(20)8-11-6-5-7-12(16)15(11)17/h5-7,10,13,19H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyKAKZZZAZQJZLJI-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

2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
CID 103658237
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
1-(2,3-difluorophenyl)-4-methylhexan-2-one
CID 114875069
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide (CID 103747763) is 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide is CCC(CC)C(O)CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The InChIKey is KAKZZZAZQJZLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-10(4-2)13(19)9-18-14(20)8-11-6-5-7-12(16)15(11)17/h5-7,10,13,19H,3-4,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide 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 2-(2,3-difluorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide is sourced from PubChem (CID 103747763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).