methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate

C19H17ClN2O4 — CID 22522120

IUPACmethyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4/c1-25-19(24)16-8-7-15(17-6-3-9-26-17)22(16)12-18(23)21-11-13-4-2-5-14(20)10-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyUSXZYWHQZYZWNC-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.50
Rot. Bonds6

About methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate

methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate (PubChem CID 22522120) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
PubChem CID22522120
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Namemethyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4/c1-25-19(24)16-8-7-15(17-6-3-9-26-17)22(16)12-18(23)21-11-13-4-2-5-14(20)10-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyUSXZYWHQZYZWNC-UHFFFAOYSA-N
XLogP3.50
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 22522130
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CID 22522106
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
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N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylate
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ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172416
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
3-(3-chlorophenyl)-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]propanamide
CID 91630558

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate (CID 22522120) is methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate is COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate?
The InChIKey is USXZYWHQZYZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-25-19(24)16-8-7-15(17-6-3-9-26-17)22(16)12-18(23)21-11-13-4-2-5-14(20)10-13/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate?
methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate is sourced from PubChem (CID 22522120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).