2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid

C20H20ClNO4 — CID 119182379

IUPAC2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCCC2Cc2ccccc2Cl)c1
InChIInChI=1S/C20H20ClNO4/c21-18-9-2-1-5-14(18)11-16-7-4-10-22(16)20(25)15-6-3-8-17(12-15)26-13-19(23)24/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,23,24)
InChIKeyLGNYTQDAXYTGNV-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.65
Rot. Bonds6

About 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 119182379) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID119182379
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCCC2Cc2ccccc2Cl)c1
InChIInChI=1S/C20H20ClNO4/c21-18-9-2-1-5-14(18)11-16-7-4-10-22(16)20(25)15-6-3-8-17(12-15)26-13-19(23)24/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,23,24)
InChIKeyLGNYTQDAXYTGNV-UHFFFAOYSA-N
XLogP3.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 60574653
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 119182379) is 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CCCC2Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is LGNYTQDAXYTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-18-9-2-1-5-14(18)11-16-7-4-10-22(16)20(25)15-6-3-8-17(12-15)26-13-19(23)24/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,23,24).
What are the key properties of 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 373.84 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 119182379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).