2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide

C19H21Cl2NO3 — CID 55688158

IUPAC2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)C(C)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-12(14-8-10-15(24-4)11-9-14)22(3)19(23)13(2)25-17-7-5-6-16(20)18(17)21/h5-13H,1-4H3
InChIKeyQSXBFBRXTHIYMM-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.99
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide

2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 55688158) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID55688158
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)C(C)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-12(14-8-10-15(24-4)11-9-14)22(3)19(23)13(2)25-17-7-5-6-16(20)18(17)21/h5-13H,1-4H3
InChIKeyQSXBFBRXTHIYMM-UHFFFAOYSA-N
XLogP4.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate
CID 55684575
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 16960543
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 132661581

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide (CID 55688158) is 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccc(C(C)N(C)C(=O)C(C)Oc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is QSXBFBRXTHIYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-12(14-8-10-15(24-4)11-9-14)22(3)19(23)13(2)25-17-7-5-6-16(20)18(17)21/h5-13H,1-4H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 382.29 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).