(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H21Cl2N3O4 — CID 29127931

IUPAC(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C21H21Cl2N3O4/c1-30-18-5-3-2-4-17(18)26-12-13(10-19(26)27)20(28)24-8-9-25-21(29)15-7-6-14(22)11-16(15)23/h2-7,11,13H,8-10,12H2,1H3,(H,24,28)(H,25,29)/t13-/m1/s1
InChIKeySBZIMDZWCRPYQX-CYBMUJFWSA-N
MW450.32 g/mol
LogP2.90
Rot. Bonds7

About (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29127931) has the molecular formula C21H21Cl2N3O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29127931
Molecular FormulaC21H21Cl2N3O4
Molecular Weight450.32 g/mol
Exact Mass449.09
IUPAC Name(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C21H21Cl2N3O4/c1-30-18-5-3-2-4-17(18)26-12-13(10-19(26)27)20(28)24-8-9-25-21(29)15-7-6-14(22)11-16(15)23/h2-7,11,13H,8-10,12H2,1H3,(H,24,28)(H,25,29)/t13-/m1/s1
InChIKeySBZIMDZWCRPYQX-CYBMUJFWSA-N
XLogP2.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29134608
(3R)-1-(2-methoxyphenyl)-N-[2-(3-methylbut-2-enoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97161779
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 55554296
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337356

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 29127931) is (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SBZIMDZWCRPYQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4/c1-30-18-5-3-2-4-17(18)26-12-13(10-19(26)27)20(28)24-8-9-25-21(29)15-7-6-14(22)11-16(15)23/h2-7,11,13H,8-10,12H2,1H3,(H,24,28)(H,25,29)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 450.32 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29127931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).