3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

C21H23ClN2O4 — CID 46399730

IUPAC3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-11-16(10-17(22)20(18)28-2)21(26)23-12-14-6-3-4-7-15(14)13-24-9-5-8-19(24)25/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,23,26)
InChIKeyXWYRFUVINKJBDX-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.41
Rot. Bonds7

About 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46399730) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46399730
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-11-16(10-17(22)20(18)28-2)21(26)23-12-14-6-3-4-7-15(14)13-24-9-5-8-19(24)25/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,23,26)
InChIKeyXWYRFUVINKJBDX-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3-(2-methoxyphenoxy)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86924907
2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 112821181
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
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3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
(2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 124755303
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46399730) is 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is XWYRFUVINKJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-18-11-16(10-17(22)20(18)28-2)21(26)23-12-14-6-3-4-7-15(14)13-24-9-5-8-19(24)25/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,23,26).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 402.88 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).