N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide

C16H20F2N2O3 — CID 56764345

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide
SMILESO=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c17-12-7-6-11(8-13(12)18)20-16(23)15(22)19-9-14(21)10-4-2-1-3-5-10/h6-8,10,14,21H,1-5,9H2,(H,19,22)(H,20,23)
InChIKeyOPGGXMWUHKVKMK-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.96
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide

N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide (PubChem CID 56764345) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide
PubChem CID56764345
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide
SMILESO=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c17-12-7-6-11(8-13(12)18)20-16(23)15(22)19-9-14(21)10-4-2-1-3-5-10/h6-8,10,14,21H,1-5,9H2,(H,19,22)(H,20,23)
InChIKeyOPGGXMWUHKVKMK-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide (CID 56764345) is N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide is O=C(NCC(O)C1CCCCC1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide?
The InChIKey is OPGGXMWUHKVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c17-12-7-6-11(8-13(12)18)20-16(23)15(22)19-9-14(21)10-4-2-1-3-5-10/h6-8,10,14,21H,1-5,9H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide has a molecular weight of 326.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-N'-(3,4-difluorophenyl)oxamide is sourced from PubChem (CID 56764345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).