[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

C19H20F2N2O5 — CID 7770902

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2OC(F)F)c(C)n1C
InChIInChI=1S/C19H20F2N2O5/c1-11-8-14(12(2)23(11)3)15(24)10-27-17(25)9-22-18(26)13-6-4-5-7-16(13)28-19(20)21/h4-8,19H,9-10H2,1-3H3,(H,22,26)
InChIKeyFJDZBBIAANZZAY-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.40
Rot. Bonds8

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 7770902) has the molecular formula C19H20F2N2O5 and a molecular weight of 394.37 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID7770902
Molecular FormulaC19H20F2N2O5
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2OC(F)F)c(C)n1C
InChIInChI=1S/C19H20F2N2O5/c1-11-8-14(12(2)23(11)3)15(24)10-27-17(25)9-22-18(26)13-6-4-5-7-16(13)28-19(20)21/h4-8,19H,9-10H2,1-3H3,(H,22,26)
InChIKeyFJDZBBIAANZZAY-UHFFFAOYSA-N
XLogP2.40
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 40633281
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051
N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 17411419
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599857
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913200
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270584
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132631
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (CID 7770902) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2OC(F)F)c(C)n1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is FJDZBBIAANZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5/c1-11-8-14(12(2)23(11)3)15(24)10-27-17(25)9-22-18(26)13-6-4-5-7-16(13)28-19(20)21/h4-8,19H,9-10H2,1-3H3,(H,22,26).
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 394.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 7770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).