methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H12Cl2N2O5 — CID 62952949

IUPACmethyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H12Cl2N2O5/c1-19-8(16)4-15(5-9(17)20-2)11(18)7-3-6(12)10(13)14-7/h3,14H,4-5H2,1-2H3
InChIKeySVNWCLUNVZCCHY-UHFFFAOYSA-N
MW323.13 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952949) has the molecular formula C11H12Cl2N2O5 and a molecular weight of 323.13 g/mol. Its IUPAC name is methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952949
Molecular FormulaC11H12Cl2N2O5
Molecular Weight323.13 g/mol
Exact Mass322.01
IUPAC Namemethyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H12Cl2N2O5/c1-19-8(16)4-15(5-9(17)20-2)11(18)7-3-6(12)10(13)14-7/h3,14H,4-5H2,1-2H3
InChIKeySVNWCLUNVZCCHY-UHFFFAOYSA-N
XLogP1.11
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
CID 55005954
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927
4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide
CID 78861424
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957148
propyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846725
methyl 2-[3-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]oxan-3-yl]acetate
CID 86816106
propan-2-yl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 112725038
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952949) is methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SVNWCLUNVZCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5/c1-19-8(16)4-15(5-9(17)20-2)11(18)7-3-6(12)10(13)14-7/h3,14H,4-5H2,1-2H3.
What are the key properties of methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 323.13 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).