2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide

C14H16F3NO2 — CID 86816385

IUPAC2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CCC1)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H16F3NO2/c15-9-2-3-10(16)12(17)11(9)13(20)18-8-14(6-7-19)4-1-5-14/h2-3,19H,1,4-8H2,(H,18,20)
InChIKeyVDYMVGLNDUUFQD-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.39
Rot. Bonds5

About 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide

2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide (PubChem CID 86816385) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
PubChem CID86816385
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CCC1)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H16F3NO2/c15-9-2-3-10(16)12(17)11(9)13(20)18-8-14(6-7-19)4-1-5-14/h2-3,19H,1,4-8H2,(H,18,20)
InChIKeyVDYMVGLNDUUFQD-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114751387
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 114758838
N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103741643
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-sulfanylbenzamide
CID 107036494
2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide (CID 86816385) is 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide is O=C(NCC1(CCO)CCC1)c1c(F)ccc(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide?
The InChIKey is VDYMVGLNDUUFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-9-2-3-10(16)12(17)11(9)13(20)18-8-14(6-7-19)4-1-5-14/h2-3,19H,1,4-8H2,(H,18,20).
What are the key properties of 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide?
2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 86816385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).