(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C23H25ClN2O4 — CID 1273771

IUPAC(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C23H25ClN2O4/c24-21-6-2-1-4-16(21)15-30-19-9-7-18(8-10-19)26-14-17(12-22(26)27)23(28)25-13-20-5-3-11-29-20/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,25,28)/t17-,20-/m0/s1
InChIKeyVDVUKNXOFXNYSI-PXNSSMCTSA-N
MW428.92 g/mol
LogP3.57
Rot. Bonds7

About (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 1273771) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID1273771
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C23H25ClN2O4/c24-21-6-2-1-4-16(21)15-30-19-9-7-18(8-10-19)26-14-17(12-22(26)27)23(28)25-13-20-5-3-11-29-20/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,25,28)/t17-,20-/m0/s1
InChIKeyVDVUKNXOFXNYSI-PXNSSMCTSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-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

(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964263
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191716
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
5-oxo-1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 54792469
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 1273771) is (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1.
What is the InChIKey of (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is VDVUKNXOFXNYSI-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c24-21-6-2-1-4-16(21)15-30-19-9-7-18(8-10-19)26-14-17(12-22(26)27)23(28)25-13-20-5-3-11-29-20/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,25,28)/t17-,20-/m0/s1.
What are the key properties of (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 1273771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).