(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C18H23ClN2O4 — CID 97137882

IUPAC(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)cc1Cl
InChIInChI=1S/C18H23ClN2O4/c1-24-16-3-2-14(9-15(16)19)21-11-13(8-17(21)22)18(23)20-10-12-4-6-25-7-5-12/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyMFVTZEQQVDSWHX-CYBMUJFWSA-N
MW366.85 g/mol
LogP2.24
Rot. Bonds5

About (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97137882) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97137882
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)cc1Cl
InChIInChI=1S/C18H23ClN2O4/c1-24-16-3-2-14(9-15(16)19)21-11-13(8-17(21)22)18(23)20-10-12-4-6-25-7-5-12/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyMFVTZEQQVDSWHX-CYBMUJFWSA-N
XLogP2.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97124745
1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 72910185
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
(3S)-1-(3-chloro-4-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42581384
(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97137942
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 122174403
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97496449
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 97137882) is (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MFVTZEQQVDSWHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-24-16-3-2-14(9-15(16)19)21-11-13(8-17(21)22)18(23)20-10-12-4-6-25-7-5-12/h2-3,9,12-13H,4-8,10-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97137882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).