3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide

C18H19Cl2NO4 — CID 38700799

IUPAC3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO4/c1-11-8-16(23-2)17(24-3)10-15(11)21-18(22)6-7-25-12-4-5-13(19)14(20)9-12/h4-5,8-10H,6-7H2,1-3H3,(H,21,22)
InChIKeyQRWICWASLCRFFH-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.73
Rot. Bonds7

About 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide

3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide (PubChem CID 38700799) has the molecular formula C18H19Cl2NO4 and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
PubChem CID38700799
Molecular FormulaC18H19Cl2NO4
Molecular Weight384.26 g/mol
Exact Mass383.07
IUPAC Name3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO4/c1-11-8-16(23-2)17(24-3)10-15(11)21-18(22)6-7-25-12-4-5-13(19)14(20)9-12/h4-5,8-10H,6-7H2,1-3H3,(H,21,22)
InChIKeyQRWICWASLCRFFH-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
2-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084815
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide (CID 38700799) is 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide is COc1cc(C)c(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The InChIKey is QRWICWASLCRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4/c1-11-8-16(23-2)17(24-3)10-15(11)21-18(22)6-7-25-12-4-5-13(19)14(20)9-12/h4-5,8-10H,6-7H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide has a molecular weight of 384.26 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 38700799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).