[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C22H20Cl2N2O5 — CID 2108786

IUPAC[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H20Cl2N2O5/c1-13-8-17(14(2)26(13)11-16-4-3-7-30-16)20(27)12-31-21(28)10-25-22(29)15-5-6-18(23)19(24)9-15/h3-9H,10-12H2,1-2H3,(H,25,29)
InChIKeyABZLIEMBEPQISP-UHFFFAOYSA-N
MW463.32 g/mol
LogP4.21
Rot. Bonds8

About [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 2108786) has the molecular formula C22H20Cl2N2O5 and a molecular weight of 463.32 g/mol. Its IUPAC name is [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID2108786
Molecular FormulaC22H20Cl2N2O5
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H20Cl2N2O5/c1-13-8-17(14(2)26(13)11-16-4-3-7-30-16)20(27)12-31-21(28)10-25-22(29)15-5-6-18(23)19(24)9-15/h3-9H,10-12H2,1-2H3,(H,25,29)
InChIKeyABZLIEMBEPQISP-UHFFFAOYSA-N
XLogP4.21
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

(3,4-Dichlorophenyl)-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10765698
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3569398
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10718870
3-[5-(4-Chlorophenyl)-1-(2-furylmethyl)pyrrol-2-yl]propanoic acid
CID 893940
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 2363200
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 2458238
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2470035
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2474679
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 2477465
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylbenzoate
CID 2659395
[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 4782977

Frequently Asked Questions

What is the IUPAC name of [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 2108786) is [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1.
What is the InChIKey of [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is ABZLIEMBEPQISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5/c1-13-8-17(14(2)26(13)11-16-4-3-7-30-16)20(27)12-31-21(28)10-25-22(29)15-5-6-18(23)19(24)9-15/h3-9H,10-12H2,1-2H3,(H,25,29).
What are the key properties of [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 463.32 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2108786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).