3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one

C20H22Cl2N2O4 — CID 67000106

IUPAC3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
SMILESCOc1cc(CNC2CCNC2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4/c1-26-17-8-13(10-24-16-5-6-23-20(16)25)9-18(27-2)19(17)28-11-12-3-4-14(21)15(22)7-12/h3-4,7-9,16,24H,5-6,10-11H2,1-2H3,(H,23,25)
InChIKeyXYFJVOCYPQDELL-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.57
Rot. Bonds8

About 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one

3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one (PubChem CID 67000106) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
PubChem CID67000106
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
SMILESCOc1cc(CNC2CCNC2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4/c1-26-17-8-13(10-24-16-5-6-23-20(16)25)9-18(27-2)19(17)28-11-12-3-4-14(21)15(22)7-12/h3-4,7-9,16,24H,5-6,10-11H2,1-2H3,(H,23,25)
InChIKeyXYFJVOCYPQDELL-UHFFFAOYSA-N
XLogP3.57
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 17056841
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617
3-[[3,5-dimethoxy-4-(1-phenylprop-2-enoxy)phenyl]methylamino]pyrrolidin-2-one
CID 67000279
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclohexanamine
CID 17055912
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one?
The IUPAC name of 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one (CID 67000106) is 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one is COc1cc(CNC2CCNC2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one?
The InChIKey is XYFJVOCYPQDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-26-17-8-13(10-24-16-5-6-23-20(16)25)9-18(27-2)19(17)28-11-12-3-4-14(21)15(22)7-12/h3-4,7-9,16,24H,5-6,10-11H2,1-2H3,(H,23,25).
What are the key properties of 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one?
3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one has a molecular weight of 425.31 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 67000106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).