N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide

C14H17F2NO3 — CID 79888270

IUPACN-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(F)cc(CO)cc1F)NC1CCCC1
InChIInChI=1S/C14H17F2NO3/c15-11-5-9(7-18)6-12(16)14(11)20-8-13(19)17-10-3-1-2-4-10/h5-6,10,18H,1-4,7-8H2,(H,17,19)
InChIKeyKTNFAKVEQNHOIU-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.89
Rot. Bonds5

About N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide

N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 79888270) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
PubChem CID79888270
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC NameN-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(F)cc(CO)cc1F)NC1CCCC1
InChIInChI=1S/C14H17F2NO3/c15-11-5-9(7-18)6-12(16)14(11)20-8-13(19)17-10-3-1-2-4-10/h5-6,10,18H,1-4,7-8H2,(H,17,19)
InChIKeyKTNFAKVEQNHOIU-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79884320
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide (CID 79888270) is N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide is O=C(COc1c(F)cc(CO)cc1F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is KTNFAKVEQNHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-11-5-9(7-18)6-12(16)14(11)20-8-13(19)17-10-3-1-2-4-10/h5-6,10,18H,1-4,7-8H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 285.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 79888270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).