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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Related Compounds

3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
N-(3,5-difluorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 43164108
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807
N'-(3,5-difluoro-4-methylsulfonylphenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888685

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).