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

C18H16ClNO4 — CID 649458

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H16ClNO4/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)20-10-13(18(22)23)9-17(20)21/h1-8,13H,9-11H2,(H,22,23)
InChIKeyJDYYPZBKFSPQOC-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.36
Rot. Bonds5

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

1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 649458) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID649458
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H16ClNO4/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)20-10-13(18(22)23)9-17(20)21/h1-8,13H,9-11H2,(H,22,23)
InChIKeyJDYYPZBKFSPQOC-UHFFFAOYSA-N
XLogP3.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2741833
1-(3-Chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146266
Methyl 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 616398
1-{4-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-5-oxopyrrolidine-3-carboxylic acid
CID 651833
4-[(2-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53322554
2-[(2S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218630
2-[(2S,4S)-1-[4-(3-chloro-2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 58218673
1-{4-[(4-Bromobenzyl)oxy]phenyl}-5-oxopyrrolidine-3-carboxylic acid
CID 3676271
Stk087815
CID 2968114
1-{4-[(4-chlorobenzyl)oxy]phenyl}-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2927317
1-{4-[(2-Chlorobenzyl)oxy]phenyl}-5-oxo-3-pyrrolidinecarboxamide
CID 3152289
1-{4-[(4-Chlorobenzyl)oxy]phenyl}-5-oxo-3-pyrrolidinecarboxamide
CID 3152291

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 649458) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JDYYPZBKFSPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c19-16-4-2-1-3-12(16)11-24-15-7-5-14(6-8-15)20-10-13(18(22)23)9-17(20)21/h1-8,13H,9-11H2,(H,22,23).
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 345.78 g/mol, XLogP of 3.36, 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-carboxylic acid is sourced from PubChem (CID 649458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).