2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide

C24H26Cl2N2O2 — CID 18635417

IUPAC2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
SMILESCOc1cccc2c1CC[C@@H](N1CC=CC1)[C@@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl2N2O2/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/h3-8,10,14,21,24H,9,11-13,15H2,1-2H3/t21-,24-/m1/s1
InChIKeyPKKGGIJVFMYWBB-ZJSXRUAMSA-N
MW445.39 g/mol
LogP4.93
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide (PubChem CID 18635417) has the molecular formula C24H26Cl2N2O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
PubChem CID18635417
Molecular FormulaC24H26Cl2N2O2
Molecular Weight445.39 g/mol
Exact Mass444.14
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
SMILESCOc1cccc2c1CC[C@@H](N1CC=CC1)[C@@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl2N2O2/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/h3-8,10,14,21,24H,9,11-13,15H2,1-2H3/t21-,24-/m1/s1
InChIKeyPKKGGIJVFMYWBB-ZJSXRUAMSA-N
XLogP4.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
CID 22120690
[(5R,6R)-5-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl] propanoate
CID 14822155
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
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
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
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
N-[(1R,2R)-7-amino-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22879441
[4-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-3-(2,5-dihydropyrrol-1-yl)cyclohexyl] acetate
CID 23315588
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-[9-(2,5-dihydropyrrol-1-yl)-1,4-dioxaspiro[4.6]undecan-8-yl]-N-methylacetamide
CID 23315593

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The IUPAC name of 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) is 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide is COc1cccc2c1CC[C@@H](N1CC=CC1)[C@@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The InChIKey is PKKGGIJVFMYWBB-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H26Cl2N2O2/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/h3-8,10,14,21,24H,9,11-13,15H2,1-2H3/t21-,24-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide has a molecular weight of 445.39 g/mol, XLogP of 4.93, 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-[(1R,2R)-2-(2,5-dihydropyrrol-1-yl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide is sourced from PubChem (CID 18635417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).