2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H25ClN2O4 — CID 42950760

IUPAC2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCCC2c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25ClN2O4/c1-26-18-11-16(12-19(27-2)21(18)28-3)23-20(25)13-24-10-4-5-17(24)14-6-8-15(22)9-7-14/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyNLAGDSBSZWBHFU-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.14
Rot. Bonds7

About 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 42950760) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID42950760
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCCC2c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25ClN2O4/c1-26-18-11-16(12-19(27-2)21(18)28-3)23-20(25)13-24-10-4-5-17(24)14-6-8-15(22)9-7-14/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyNLAGDSBSZWBHFU-UHFFFAOYSA-N
XLogP4.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886
methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
CID 42576017
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 46802170
2-[(1S,4aS,8aR)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-chlorophenyl)acetamide
CID 51705128
2-[(1S,4aR,8aR)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-chlorophenyl)acetamide
CID 6358247
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 42950760) is 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCCC2c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NLAGDSBSZWBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-26-18-11-16(12-19(27-2)21(18)28-3)23-20(25)13-24-10-4-5-17(24)14-6-8-15(22)9-7-14/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 404.89 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 42950760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).