4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide

C20H22N2O4 — CID 57440481

IUPAC4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C20H22N2O4/c1-21(2)19(25)14-7-5-13(6-8-14)17-4-3-11-22(17)20(26)16-10-9-15(23)12-18(16)24/h5-10,12,17,23-24H,3-4,11H2,1-2H3
InChIKeyIZLFCHMKWVAQLA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.78
Rot. Bonds3

About 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide

4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide (PubChem CID 57440481) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide
PubChem CID57440481
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C20H22N2O4/c1-21(2)19(25)14-7-5-13(6-8-14)17-4-3-11-22(17)20(26)16-10-9-15(23)12-18(16)24/h5-10,12,17,23-24H,3-4,11H2,1-2H3
InChIKeyIZLFCHMKWVAQLA-UHFFFAOYSA-N
XLogP2.78
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone
CID 143664675
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352
[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
CID 71096055
1-(2,4-dihydroxybenzoyl)piperidine-2-carbothioamide
CID 107722124
(5-chloro-2,4-dihydroxyphenyl)-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71096010
(2,4-dihydroxyphenyl)-[2-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-1-yl]methanone;ethane
CID 143322557
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 112806434

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide (CID 57440481) is 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C2CCCN2C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is IZLFCHMKWVAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-21(2)19(25)14-7-5-13(6-8-14)17-4-3-11-22(17)20(26)16-10-9-15(23)12-18(16)24/h5-10,12,17,23-24H,3-4,11H2,1-2H3.
What are the key properties of 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide?
4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 57440481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).