methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate

C21H23F3N2O5 — CID 16764000

IUPACmethyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C21H23F3N2O5/c1-12-16(18(28)31-3)20(21(22,23)24,19(29)26(12)14-8-4-5-9-14)25-17(27)13-7-6-10-15(11-13)30-2/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,25,27)
InChIKeyOWDOWTDNSPOXBE-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.96
Rot. Bonds5

About methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate

methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate (PubChem CID 16764000) has the molecular formula C21H23F3N2O5 and a molecular weight of 440.42 g/mol. Its IUPAC name is methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
PubChem CID16764000
Molecular FormulaC21H23F3N2O5
Molecular Weight440.42 g/mol
Exact Mass440.16
IUPAC Namemethyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C21H23F3N2O5/c1-12-16(18(28)31-3)20(21(22,23)24,19(29)26(12)14-8-4-5-9-14)25-17(27)13-7-6-10-15(11-13)30-2/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,25,27)
InChIKeyOWDOWTDNSPOXBE-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 16764002
methyl (4S)-4-acetamido-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 2222604
methyl 4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 17382916
N-[(3R)-4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 2712170
methyl (4S)-1-cyclohexyl-4-(3-cyclohexylpropanoylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 42579087
methyl 1-cyclohexyl-2-methyl-4-(3-methylbutanoylamino)-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 17087942
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
N-[(5R)-1-(3,4-dimethylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methoxybenzamide
CID 2007159
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
methyl (4Z)-1-cyclopentyl-4-[(3-methoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 6263492
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 92651801
N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
CID 2002483

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate (CID 16764000) is methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate is COC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(=O)c1cccc(OC)c1)C(F)(F)F.
What is the InChIKey of methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The InChIKey is OWDOWTDNSPOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5/c1-12-16(18(28)31-3)20(21(22,23)24,19(29)26(12)14-8-4-5-9-14)25-17(27)13-7-6-10-15(11-13)30-2/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,25,27).
What are the key properties of methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate has a molecular weight of 440.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-4-[(3-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 16764000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).