4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide

C13H15F3N2O3 — CID 99783439

IUPAC4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)18-12(20)7-4-10(11(17)19)21-6-7/h4,6,8-9H,1-3,5H2,(H2,17,19)(H,18,20)/t8-,9-/m1/s1
InChIKeyXIKPVTSPUXZROC-RKDXNWHRSA-N
MW304.27 g/mol
LogP2.23
Rot. Bonds3

About 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide

4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide (PubChem CID 99783439) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
PubChem CID99783439
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)18-12(20)7-4-10(11(17)19)21-6-7/h4,6,8-9H,1-3,5H2,(H2,17,19)(H,18,20)/t8-,9-/m1/s1
InChIKeyXIKPVTSPUXZROC-RKDXNWHRSA-N
XLogP2.23
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide with MolForge

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Related Compounds

N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97006085
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
CID 55534849

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide (CID 99783439) is 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide is NC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1.
What is the InChIKey of 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide?
The InChIKey is XIKPVTSPUXZROC-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)18-12(20)7-4-10(11(17)19)21-6-7/h4,6,8-9H,1-3,5H2,(H2,17,19)(H,18,20)/t8-,9-/m1/s1.
What are the key properties of 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide?
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide has a molecular weight of 304.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 99783439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).