1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O3 — CID 42955847

IUPAC1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-27-14-16-8-4-3-7-15(16)12-23-21(26)17-11-20(25)24(13-17)19-10-6-5-9-18(19)22/h3-10,17H,2,11-14H2,1H3,(H,23,26)
InChIKeyAXLQRSBOCXCCHK-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42955847) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42955847
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-27-14-16-8-4-3-7-15(16)12-23-21(26)17-11-20(25)24(13-17)19-10-6-5-9-18(19)22/h3-10,17H,2,11-14H2,1H3,(H,23,26)
InChIKeyAXLQRSBOCXCCHK-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(2-ethoxyphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 134023136
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2-chlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 134056510
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 136523864
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 42955847) is 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCOCc1ccccc1CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AXLQRSBOCXCCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-2-27-14-16-8-4-3-7-15(16)12-23-21(26)17-11-20(25)24(13-17)19-10-6-5-9-18(19)22/h3-10,17H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42955847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).