4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C20H21ClN2O3 — CID 32606773

IUPAC4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C20H21ClN2O3/c1-26-13-15-6-3-2-5-14(15)12-22-20(25)17-9-8-16(21)11-18(17)23-10-4-7-19(23)24/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,22,25)
InChIKeyQDBULEMOHHLCBM-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.54
Rot. Bonds6

About 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 32606773) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID32606773
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C20H21ClN2O3/c1-26-13-15-6-3-2-5-14(15)12-22-20(25)17-9-8-16(21)11-18(17)23-10-4-7-19(23)24/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,22,25)
InChIKeyQDBULEMOHHLCBM-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35151310
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 55414270
4-chloro-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 56524417
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42889160
4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17407479
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34751134
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 32606773) is 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is COCc1ccccc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QDBULEMOHHLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-13-15-6-3-2-5-14(15)12-22-20(25)17-9-8-16(21)11-18(17)23-10-4-7-19(23)24/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 372.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 32606773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).