N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide

C15H19F2NO2 — CID 111451652

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C15H19F2NO2/c16-11-7-4-8-12(17)14(11)13(19)9-18-15(20)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9H2,(H,18,20)
InChIKeyISXHOQCOJXTULH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide (PubChem CID 111451652) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
PubChem CID111451652
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C15H19F2NO2/c16-11-7-4-8-12(17)14(11)13(19)9-18-15(20)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9H2,(H,18,20)
InChIKeyISXHOQCOJXTULH-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 99630106
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
CID 111451278
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451344
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide (CID 111451652) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide is O=C(NCC(O)c1c(F)cccc1F)C1CCCCC1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
The InChIKey is ISXHOQCOJXTULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-11-7-4-8-12(17)14(11)13(19)9-18-15(20)10-5-2-1-3-6-10/h4,7-8,10,13,19H,1-3,5-6,9H2,(H,18,20).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide is sourced from PubChem (CID 111451652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).