[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C20H21FN2O4 — CID 9270584

IUPAC[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(C)n1C1CC1
InChIInChI=1S/C20H21FN2O4/c1-12-9-16(13(2)23(12)14-7-8-14)18(24)11-27-19(25)10-22-20(26)15-5-3-4-6-17(15)21/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyYBNZREHPYWXACH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.73
Rot. Bonds7

About [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270584) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270584
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(C)n1C1CC1
InChIInChI=1S/C20H21FN2O4/c1-12-9-16(13(2)23(12)14-7-8-14)18(24)11-27-19(25)10-22-20(26)15-5-3-4-6-17(15)21/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyYBNZREHPYWXACH-UHFFFAOYSA-N
XLogP2.73
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-benzamidoacetate
CID 7783390
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-chlorobenzoate
CID 2624452
1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045
[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 43029956
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839575
1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34729662
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30553551
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2,6-difluoroanilino)ethanone
CID 110654529
[2-(2-fluorophenyl)-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 8698981
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549208

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270584) is [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(C)n1C1CC1.
What is the InChIKey of [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is YBNZREHPYWXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-12-9-16(13(2)23(12)14-7-8-14)18(24)11-27-19(25)10-22-20(26)15-5-3-4-6-17(15)21/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 372.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).