5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 123905023

IUPAC5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)NC1=O
InChIInChI=1S/C19H18ClFN2O2/c1-19(17(22)24)10-14(23-18(19)25)8-11-2-4-12(5-3-11)15-9-13(20)6-7-16(15)21/h2-7,9,14H,8,10H2,1H3,(H2,22,24)(H,23,25)
InChIKeySRVRTJTVMXKEDW-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.07
Rot. Bonds4

About 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide

5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 123905023) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID123905023
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)NC1=O
InChIInChI=1S/C19H18ClFN2O2/c1-19(17(22)24)10-14(23-18(19)25)8-11-2-4-12(5-3-11)15-9-13(20)6-7-16(15)21/h2-7,9,14H,8,10H2,1H3,(H2,22,24)(H,23,25)
InChIKeySRVRTJTVMXKEDW-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
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 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide (CID 123905023) is 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide is CC1(C(N)=O)CC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)NC1=O.
What is the InChIKey of 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SRVRTJTVMXKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-19(17(22)24)10-14(23-18(19)25)8-11-2-4-12(5-3-11)15-9-13(20)6-7-16(15)21/h2-7,9,14H,8,10H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-3-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123905023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).