N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide

C17H17Cl2NO3 — CID 21173910

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-11(23-15-7-5-14(22-2)6-8-15)17(21)20-10-12-3-4-13(18)9-16(12)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyOJUJJUWETXOIJO-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.09
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 21173910) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID21173910
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-11(23-15-7-5-14(22-2)6-8-15)17(21)20-10-12-3-4-13(18)9-16(12)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyOJUJJUWETXOIJO-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 9173663
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 94049685
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
(2R)-2-(4-cyanophenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 9246467
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide (CID 21173910) is N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is OJUJJUWETXOIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-11(23-15-7-5-14(22-2)6-8-15)17(21)20-10-12-3-4-13(18)9-16(12)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 354.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 21173910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).