2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H26Cl2N2O3 — CID 54340960

IUPAC2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCON(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2CC[C@H]1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3/t21-,23-/m1/s1
InChIKeyTYXOMKRNHGBCSB-FYYLOGMGSA-N
MW449.38 g/mol
LogP4.91
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 54340960) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID54340960
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCON(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2CC[C@H]1N1CCCC1
InChIInChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3/t21-,23-/m1/s1
InChIKeyTYXOMKRNHGBCSB-FYYLOGMGSA-N
XLogP4.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide 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-dichlorophenoxy)-N-methoxy-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 19888643
2-(3,4-dichlorophenoxy)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 14476603
2-(3,4-dichlorophenoxy)-N-methyl-N-[(5R,6R)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide
CID 14476633
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
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-(3,4-dichlorophenyl)-N-(5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide;hydrochloride
CID 22120690
2-(3,4-dichlorophenoxy)-N-methyl-N-[(5R,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 18641708
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-methyl-2-naphthalen-1-yl-N-[(5S,6S)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide
CID 54362115
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 54340960) is 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CON(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2CC[C@H]1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is TYXOMKRNHGBCSB-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-29-27(22(28)15-30-17-9-10-19(24)20(25)14-17)23-18-7-3-2-6-16(18)8-11-21(23)26-12-4-5-13-26/h2-3,6-7,9-10,14,21,23H,4-5,8,11-13,15H2,1H3/t21-,23-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 449.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-methoxy-N-[(1R,2R)-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 54340960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).