(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O3 — CID 124749076

IUPAC(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C19H18Cl2N2O3/c1-26-16-8-3-2-5-12(16)10-22-19(25)13-9-17(24)23(11-13)15-7-4-6-14(20)18(15)21/h2-8,13H,9-11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyNJTAQDQPYKCDRB-ZDUSSCGKSA-N
MW393.27 g/mol
LogP3.67
Rot. Bonds5

About (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124749076) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124749076
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C19H18Cl2N2O3/c1-26-16-8-3-2-5-12(16)10-22-19(25)13-9-17(24)23(11-13)15-7-4-6-14(20)18(15)21/h2-8,13H,9-11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyNJTAQDQPYKCDRB-ZDUSSCGKSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40602516
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124730320
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 124749076) is (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NJTAQDQPYKCDRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-26-16-8-3-2-5-12(16)10-22-19(25)13-9-17(24)23(11-13)15-7-4-6-14(20)18(15)21/h2-8,13H,9-11H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124749076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).