2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

C22H22ClNO3 — CID 8529237

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)Cc3cc(Cl)ccc3OC)ccc2c1
InChIInChI=1S/C22H22ClNO3/c1-24(22(25)13-18-11-19(23)7-9-21(18)27-3)14-15-4-5-17-12-20(26-2)8-6-16(17)10-15/h4-12H,13-14H2,1-3H3
InChIKeyLBKOZLQUXXXPEG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.71
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (PubChem CID 8529237) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
PubChem CID8529237
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)Cc3cc(Cl)ccc3OC)ccc2c1
InChIInChI=1S/C22H22ClNO3/c1-24(22(25)13-18-11-19(23)7-9-21(18)27-3)14-15-4-5-17-12-20(26-2)8-6-16(17)10-15/h4-12H,13-14H2,1-3H3
InChIKeyLBKOZLQUXXXPEG-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (CID 8529237) is 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is COc1ccc2cc(CN(C)C(=O)Cc3cc(Cl)ccc3OC)ccc2c1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The InChIKey is LBKOZLQUXXXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-24(22(25)13-18-11-19(23)7-9-21(18)27-3)14-15-4-5-17-12-20(26-2)8-6-16(17)10-15/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide has a molecular weight of 383.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 8529237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).