3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

C18H19Cl2NO2 — CID 55684776

IUPAC3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-21(12-14-6-3-4-9-16(14)23-2)17(22)11-10-13-7-5-8-15(19)18(13)20/h3-9H,10-12H2,1-2H3
InChIKeySAXHYIJFXOHNNG-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.59
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 55684776) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID55684776
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-21(12-14-6-3-4-9-16(14)23-2)17(22)11-10-13-7-5-8-15(19)18(13)20/h3-9H,10-12H2,1-2H3
InChIKeySAXHYIJFXOHNNG-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (CID 55684776) is 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccccc1CN(C)C(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is SAXHYIJFXOHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-21(12-14-6-3-4-9-16(14)23-2)17(22)11-10-13-7-5-8-15(19)18(13)20/h3-9H,10-12H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 352.26 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55684776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).