methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate

C18H19Cl2N3O4 — CID 55670935

IUPACmethyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C18H19Cl2N3O4/c1-22-15(10-13(19)16(22)20)17(24)21-14-4-3-11(9-12(14)18(25)26-2)23-5-7-27-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H,21,24)
InChIKeyUGUYZGBYMDLTSC-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate

methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate (PubChem CID 55670935) has the molecular formula C18H19Cl2N3O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
PubChem CID55670935
Molecular FormulaC18H19Cl2N3O4
Molecular Weight412.27 g/mol
Exact Mass411.08
IUPAC Namemethyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C18H19Cl2N3O4/c1-22-15(10-13(19)16(22)20)17(24)21-14-4-3-11(9-12(14)18(25)26-2)23-5-7-27-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H,21,24)
InChIKeyUGUYZGBYMDLTSC-UHFFFAOYSA-N
XLogP3.21
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate (CID 55670935) is methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The InChIKey is UGUYZGBYMDLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4/c1-22-15(10-13(19)16(22)20)17(24)21-14-4-3-11(9-12(14)18(25)26-2)23-5-7-27-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate?
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate has a molecular weight of 412.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 55670935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).