4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide

C20H21ClN2O4 — CID 86863283

IUPAC4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)COc2cc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-26-15-7-4-13(5-8-15)17-3-2-10-23(17)19(24)12-27-18-11-14(21)6-9-16(18)20(22)25/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,25)
InChIKeyBBHLMQCRAIPFEA-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide

4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 86863283) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID86863283
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)COc2cc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-26-15-7-4-13(5-8-15)17-3-2-10-23(17)19(24)12-27-18-11-14(21)6-9-16(18)20(22)25/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,25)
InChIKeyBBHLMQCRAIPFEA-UHFFFAOYSA-N
XLogP3.19
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 26663387
2-(2,4-dichlorophenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907672
2-(3-chlorophenoxy)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 35604202
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
2-(2,4-dimethylphenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42919830
2-(2,4-dibromophenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 26700361
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907649
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(3,5-dichlorophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78846443
2-(2,3-dimethylphenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42888891
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 17429655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide (CID 86863283) is 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide is COc1ccc(C2CCCN2C(=O)COc2cc(Cl)ccc2C(N)=O)cc1.
What is the InChIKey of 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is BBHLMQCRAIPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-15-7-4-13(5-8-15)17-3-2-10-23(17)19(24)12-27-18-11-14(21)6-9-16(18)20(22)25/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,25).
What are the key properties of 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 388.85 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 86863283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).