2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

C15H19F2NO3 — CID 115362465

IUPAC2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCC1(CO)CCCC1
InChIInChI=1S/C15H19F2NO3/c16-11-3-4-13(12(17)7-11)21-8-14(20)18-9-15(10-19)5-1-2-6-15/h3-4,7,19H,1-2,5-6,8-10H2,(H,18,20)
InChIKeyVOLHWNXAQBSNJR-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.01
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 115362465) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID115362465
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCC1(CO)CCCC1
InChIInChI=1S/C15H19F2NO3/c16-11-3-4-13(12(17)7-11)21-8-14(20)18-9-15(10-19)5-1-2-6-15/h3-4,7,19H,1-2,5-6,8-10H2,(H,18,20)
InChIKeyVOLHWNXAQBSNJR-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 115362465) is 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is O=C(COc1ccc(F)cc1F)NCC1(CO)CCCC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is VOLHWNXAQBSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c16-11-3-4-13(12(17)7-11)21-8-14(20)18-9-15(10-19)5-1-2-6-15/h3-4,7,19H,1-2,5-6,8-10H2,(H,18,20).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 299.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 115362465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).