(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C18H16ClNO3 — CID 19615215

IUPAC(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16ClNO3/c19-16-9-5-4-6-13(16)12-23-18(22)14-10-17(21)20(11-14)15-7-2-1-3-8-15/h1-9,14H,10-12H2
InChIKeyWMIUJBXNDPMSNC-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.44
Rot. Bonds4

About (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 19615215) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID19615215
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16ClNO3/c19-16-9-5-4-6-13(16)12-23-18(22)14-10-17(21)20(11-14)15-7-2-1-3-8-15/h1-9,14H,10-12H2
InChIKeyWMIUJBXNDPMSNC-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952072
(2-chlorophenyl)methyl (3R)-1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218871
(2-chlorophenyl)methyl 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3400881
(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19590567
(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615469
(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466508
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
(2-cyanophenyl)methyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509591
(2-cyanophenyl)methyl (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8509589
(3-chlorophenyl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952069
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
(2-methylphenyl)methyl 1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 46669757

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 19615215) is (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(OCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is WMIUJBXNDPMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-16-9-5-4-6-13(16)12-23-18(22)14-10-17(21)20(11-14)15-7-2-1-3-8-15/h1-9,14H,10-12H2.
What are the key properties of (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 329.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 19615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).