4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

C23H26F2N2O3 — CID 86961034

IUPAC4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C23H26F2N2O3/c1-14(2)26-23(29)16-4-3-5-18(12-16)27-22(28)15-6-9-19(10-7-15)30-21-11-8-17(24)13-20(21)25/h6-11,13-14,16,18H,3-5,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyNQAGJDOLNSJQJI-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.57
Rot. Bonds6

About 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (PubChem CID 86961034) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
PubChem CID86961034
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C23H26F2N2O3/c1-14(2)26-23(29)16-4-3-5-18(12-16)27-22(28)15-6-9-19(10-7-15)30-21-11-8-17(24)13-20(21)25/h6-11,13-14,16,18H,3-5,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyNQAGJDOLNSJQJI-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (CID 86961034) is 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is CC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)C1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is NQAGJDOLNSJQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-14(2)26-23(29)16-4-3-5-18(12-16)27-22(28)15-6-9-19(10-7-15)30-21-11-8-17(24)13-20(21)25/h6-11,13-14,16,18H,3-5,12H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 416.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 86961034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).