1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C18H16Cl2N2O3 — CID 3152297

IUPAC1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)22-9-11(18(21)24)8-17(22)23/h1-7,11H,8-10H2,(H2,21,24)
InChIKeyZBAWXPNIQVSWNF-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3152297) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3152297
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O3/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)22-9-11(18(21)24)8-17(22)23/h1-7,11H,8-10H2,(H2,21,24)
InChIKeyZBAWXPNIQVSWNF-UHFFFAOYSA-N
XLogP3.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 3152297) is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZBAWXPNIQVSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)22-9-11(18(21)24)8-17(22)23/h1-7,11H,8-10H2,(H2,21,24).
What are the key properties of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.24 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3152297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).