2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride

C24H29Cl3N2O2 — CID 22120690

IUPAC2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
SMILESCOc1cccc2c1CCC(N1CCCC1)C2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C24H28Cl2N2O2.ClH/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28;/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3;1H
InChIKeyFPNBFLNBNPFFFA-UHFFFAOYSA-N
MW483.87 g/mol
LogP5.58
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride

2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride (PubChem CID 22120690) has the molecular formula C24H29Cl3N2O2 and a molecular weight of 483.87 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
PubChem CID22120690
Molecular FormulaC24H29Cl3N2O2
Molecular Weight483.87 g/mol
Exact Mass482.13
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
SMILESCOc1cccc2c1CCC(N1CCCC1)C2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C24H28Cl2N2O2.ClH/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28;/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3;1H
InChIKeyFPNBFLNBNPFFFA-UHFFFAOYSA-N
XLogP5.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5S,6S)-5-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid;hydrochloride
CID 45262793
2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 18635417
O-[[(5R,6R)-5-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl]] N,N-dimethylcarbamothioate
CID 14822172
2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
CID 45262675
[(5R,6R)-5-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl] propanoate
CID 14822155
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707
N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-(4-nitrophenyl)acetamide;hydrochloride
CID 45265481
N-[(1R,2R)-7-amino-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22879441
2-(1-benzothiophen-4-yl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
CID 45262768
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-7-nitro-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 10345823
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
N-(5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 14327122

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride (CID 22120690) is 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride is COc1cccc2c1CCC(N1CCCC1)C2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride?
The InChIKey is FPNBFLNBNPFFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2.ClH/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28;/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride?
2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride has a molecular weight of 483.87 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 22120690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).