(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 70840428

IUPAC(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2)CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22-17(24)19(12-13-5-3-2-4-6-13)9-10-23(18(19)25)14-7-8-16(21)15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyZOGWREQLVDTAPQ-IBGZPJMESA-N
MW360.82 g/mol
LogP3.19
Rot. Bonds4

About (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 70840428) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID70840428
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2)CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22-17(24)19(12-13-5-3-2-4-6-13)9-10-23(18(19)25)14-7-8-16(21)15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyZOGWREQLVDTAPQ-IBGZPJMESA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (CID 70840428) is (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2)CCN(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is ZOGWREQLVDTAPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-22-17(24)19(12-13-5-3-2-4-6-13)9-10-23(18(19)25)14-7-8-16(21)15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
(3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(3-chloro-4-fluorophenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70840428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).