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

C12H13F2NO3 — CID 79887948

IUPACN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(F)cc(CO)cc1F)NC1CC1
InChIInChI=1S/C12H13F2NO3/c13-9-3-7(5-16)4-10(14)12(9)18-6-11(17)15-8-1-2-8/h3-4,8,16H,1-2,5-6H2,(H,15,17)
InChIKeyNQKARTIXLDHSRM-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.11
Rot. Bonds5

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

N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 79887948) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
PubChem CID79887948
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC NameN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(F)cc(CO)cc1F)NC1CC1
InChIInChI=1S/C12H13F2NO3/c13-9-3-7(5-16)4-10(14)12(9)18-6-11(17)15-8-1-2-8/h3-4,8,16H,1-2,5-6H2,(H,15,17)
InChIKeyNQKARTIXLDHSRM-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79884320
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
CID 79883466
N-(1,1-dioxothiolan-3-yl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 11947642
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide (CID 79887948) is N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide is O=C(COc1c(F)cc(CO)cc1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is NQKARTIXLDHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-9-3-7(5-16)4-10(14)12(9)18-6-11(17)15-8-1-2-8/h3-4,8,16H,1-2,5-6H2,(H,15,17).
What are the key properties of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide?
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 257.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 79887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).