N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide

C20H27F3N2O3 — CID 2967020

IUPACN-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide
SMILESCC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H27F3N2O3/c1-12-16(13(2)26)19(20(21,22)23,18(28)25(12)15-10-6-7-11-15)24-17(27)14-8-4-3-5-9-14/h14-15H,3-11H2,1-2H3,(H,24,27)
InChIKeyVEJOLKHBIWOGES-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.63
Rot. Bonds4

About N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide

N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide (PubChem CID 2967020) has the molecular formula C20H27F3N2O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide
PubChem CID2967020
Molecular FormulaC20H27F3N2O3
Molecular Weight400.44 g/mol
Exact Mass400.20
IUPAC NameN-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide
SMILESCC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H27F3N2O3/c1-12-16(13(2)26)19(20(21,22)23,18(28)25(12)15-10-6-7-11-15)24-17(27)14-8-4-3-5-9-14/h14-15H,3-11H2,1-2H3,(H,24,27)
InChIKeyVEJOLKHBIWOGES-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide (CID 2967020) is N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide is CC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide?
The InChIKey is VEJOLKHBIWOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O3/c1-12-16(13(2)26)19(20(21,22)23,18(28)25(12)15-10-6-7-11-15)24-17(27)14-8-4-3-5-9-14/h14-15H,3-11H2,1-2H3,(H,24,27).
What are the key properties of N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide?
N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2967020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).