(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 8885855

IUPAC(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC1=O
InChIInChI=1S/C20H21ClN2O3/c1-3-26-18-7-5-4-6-17(18)23-12-14(11-19(23)24)20(25)22-16-9-8-13(2)10-15(16)21/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyVTZSKICVNDONGR-AWEZNQCLSA-N
MW372.85 g/mol
LogP4.04
Rot. Bonds5

About (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 8885855) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID8885855
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC1=O
InChIInChI=1S/C20H21ClN2O3/c1-3-26-18-7-5-4-6-17(18)23-12-14(11-19(23)24)20(25)22-16-9-8-13(2)10-15(16)21/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyVTZSKICVNDONGR-AWEZNQCLSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964456
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 8885855) is (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC1=O.
What is the InChIKey of (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VTZSKICVNDONGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-26-18-7-5-4-6-17(18)23-12-14(11-19(23)24)20(25)22-16-9-8-13(2)10-15(16)21/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8885855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).