N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide

C14H16F2N2O3 — CID 111798158

IUPACN'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide
SMILESO=C(Nc1cc(F)cc(F)c1)C(=O)NC1CCCCC1O
InChIInChI=1S/C14H16F2N2O3/c15-8-5-9(16)7-10(6-8)17-13(20)14(21)18-11-3-1-2-4-12(11)19/h5-7,11-12,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyXZIYUJNZHHCCTG-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.32
Rot. Bonds2

About N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide

N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide (PubChem CID 111798158) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide
PubChem CID111798158
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide
SMILESO=C(Nc1cc(F)cc(F)c1)C(=O)NC1CCCCC1O
InChIInChI=1S/C14H16F2N2O3/c15-8-5-9(16)7-10(6-8)17-13(20)14(21)18-11-3-1-2-4-12(11)19/h5-7,11-12,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyXZIYUJNZHHCCTG-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide?
The IUPAC name of N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide (CID 111798158) is N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide.
What is the SMILES notation for N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide?
The canonical SMILES for N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide is O=C(Nc1cc(F)cc(F)c1)C(=O)NC1CCCCC1O.
What is the InChIKey of N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide?
The InChIKey is XZIYUJNZHHCCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-8-5-9(16)7-10(6-8)17-13(20)14(21)18-11-3-1-2-4-12(11)19/h5-7,11-12,19H,1-4H2,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide?
N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide has a molecular weight of 298.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide is sourced from PubChem (CID 111798158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).