3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide

C17H17Cl2NO — CID 38910581

IUPAC3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-12-6-3-4-9-15(12)20-16(21)11-10-13-7-5-8-14(18)17(13)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyAPGNQDWJFCRMDO-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.13
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide

3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide (PubChem CID 38910581) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
PubChem CID38910581
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-12-6-3-4-9-15(12)20-16(21)11-10-13-7-5-8-14(18)17(13)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyAPGNQDWJFCRMDO-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559
3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 38912265
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide (CID 38910581) is 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide?
The InChIKey is APGNQDWJFCRMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-12-6-3-4-9-15(12)20-16(21)11-10-13-7-5-8-14(18)17(13)19/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide?
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide has a molecular weight of 322.24 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 38910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).