1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O4 — CID 46440498

IUPAC1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)c1
InChIInChI=1S/C20H20ClN3O4/c1-22-18(25)12-28-15-6-4-5-14(10-15)23-20(27)13-9-19(26)24(11-13)17-8-3-2-7-16(17)21/h2-8,10,13H,9,11-12H2,1H3,(H,22,25)(H,23,27)
InChIKeyHHMCEMKCOBMIDG-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.46
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46440498) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46440498
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)c1
InChIInChI=1S/C20H20ClN3O4/c1-22-18(25)12-28-15-6-4-5-14(10-15)23-20(27)13-9-19(26)24(11-13)17-8-3-2-7-16(17)21/h2-8,10,13H,9,11-12H2,1H3,(H,22,25)(H,23,27)
InChIKeyHHMCEMKCOBMIDG-UHFFFAOYSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46460905
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
1-(3-chloro-2-methylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187530
1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55671788
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46440498) is 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HHMCEMKCOBMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-22-18(25)12-28-15-6-4-5-14(10-15)23-20(27)13-9-19(26)24(11-13)17-8-3-2-7-16(17)21/h2-8,10,13H,9,11-12H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46440498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).