1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C18H17ClN2O3 — CID 3152289

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)21-10-13(18(20)23)9-17(21)22/h1-8,13H,9-11H2,(H2,20,23)
InChIKeyZTZSMYHQKPBIFR-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3152289) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3152289
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)21-10-13(18(20)23)9-17(21)22/h1-8,13H,9-11H2,(H2,20,23)
InChIKeyZTZSMYHQKPBIFR-UHFFFAOYSA-N
XLogP2.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 3152289) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTZSMYHQKPBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)21-10-13(18(20)23)9-17(21)22/h1-8,13H,9-11H2,(H2,20,23).
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3152289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).