1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid

C18H15ClFNO4 — CID 651833

IUPAC1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C18H15ClFNO4/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)21-9-11(18(23)24)8-17(21)22/h1-7,11H,8-10H2,(H,23,24)
InChIKeyGQIJAGYIHBVCHP-UHFFFAOYSA-N
MW363.77 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 651833) has the molecular formula C18H15ClFNO4 and a molecular weight of 363.77 g/mol. Its IUPAC name is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID651833
Molecular FormulaC18H15ClFNO4
Molecular Weight363.77 g/mol
Exact Mass363.07
IUPAC Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C18H15ClFNO4/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)21-9-11(18(23)24)8-17(21)22/h1-7,11H,8-10H2,(H,23,24)
InChIKeyGQIJAGYIHBVCHP-UHFFFAOYSA-N
XLogP3.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 53.50
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
Methyl 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 616398
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
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-(4-hexoxyphenyl)pyrrolidine-2,3-dione
CID 126842867
1-{4-[(2-Chlorophenyl)methoxy]phenyl}-5-oxopyrrolidine-3-carboxylic acid
CID 649458
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
1-[4-[(2,6-Dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3152297

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 651833) is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GQIJAGYIHBVCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4/c19-15-2-1-3-16(20)14(15)10-25-13-6-4-12(5-7-13)21-9-11(18(23)24)8-17(21)22/h1-7,11H,8-10H2,(H,23,24).
What are the key properties of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 363.77 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 651833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).