N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide

C17H17Cl2NO2 — CID 19226004

IUPACN-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21)
InChIKeyUBCCFLMZYPUYJP-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.96
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide

N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 19226004) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID19226004
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21)
InChIKeyUBCCFLMZYPUYJP-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide
CID 86860430

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide (CID 19226004) is N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is UBCCFLMZYPUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-13-6-9-15(18)16(19)11-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide?
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 19226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).