2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H22ClN3O3 — CID 3219662

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-16-10-8-15(9-11-16)23-20(26)24-12-4-7-18(24)19(25)22-13-14-5-2-3-6-17(14)21/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyJKCLGVVOXDFLRQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.66
Rot. Bonds5

About 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219662) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219662
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-16-10-8-15(9-11-16)23-20(26)24-12-4-7-18(24)19(25)22-13-14-5-2-3-6-17(14)21/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyJKCLGVVOXDFLRQ-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 118132864
1-(4-chlorophenyl)-3-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122582941
1-(4-Chlorophenyl)-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122582974
1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122592369
1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea
CID 135251225
(2S)-3-(2-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648319
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
N-(3-chloro-4-methylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430382
N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2201159
N-(3-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218090
1-(4-chlorophenethyl)-N-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815651
N1-(4-chlorophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 2876208

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219662) is 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JKCLGVVOXDFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-16-10-8-15(9-11-16)23-20(26)24-12-4-7-18(24)19(25)22-13-14-5-2-3-6-17(14)21/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).