3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide

C19H20Cl2N2O3 — CID 113134137

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)22-19(25)8-9-23(13(2)24)16-11-14(20)10-15(21)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,25)
InChIKeyIFCGSRAUWWMTKN-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.77
Rot. Bonds7

About 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113134137) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113134137
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)22-19(25)8-9-23(13(2)24)16-11-14(20)10-15(21)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,25)
InChIKeyIFCGSRAUWWMTKN-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
methyl 3-[acetyl-[3-(2-ethoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131429
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide (CID 113134137) is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is IFCGSRAUWWMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)22-19(25)8-9-23(13(2)24)16-11-14(20)10-15(21)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 395.29 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113134137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).