3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide

C19H20Cl2N2O3 — CID 113129516

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2cccc(Cl)c2Cl)C(C)=O)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-15-9-7-14(8-10-15)23(13(2)24)12-11-18(25)22-17-6-4-5-16(20)19(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyHRONIVFPCDMQMO-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.77
Rot. Bonds7

About 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide

3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 113129516) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
PubChem CID113129516
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2cccc(Cl)c2Cl)C(C)=O)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-15-9-7-14(8-10-15)23(13(2)24)12-11-18(25)22-17-6-4-5-16(20)19(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyHRONIVFPCDMQMO-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-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
CID 67862307
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
2-(N-acetyl-2,6-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180044
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide (CID 113129516) is 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide is CCOc1ccc(N(CCC(=O)Nc2cccc(Cl)c2Cl)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is HRONIVFPCDMQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-3-26-15-9-7-14(8-10-15)23(13(2)24)12-11-18(25)22-17-6-4-5-16(20)19(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide?
3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)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-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 113129516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).