3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide

C17H15Cl3N2O2 — CID 113134341

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(15-8-4-6-13(19)17(15)20)10-9-16(24)21-14-7-3-2-5-12(14)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyRIWUKKGHNLSEOC-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.03
Rot. Bonds5

About 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide

3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide (PubChem CID 113134341) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
PubChem CID113134341
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(15-8-4-6-13(19)17(15)20)10-9-16(24)21-14-7-3-2-5-12(14)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyRIWUKKGHNLSEOC-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide (CID 113134341) is 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide?
The InChIKey is RIWUKKGHNLSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-11(23)22(15-8-4-6-13(19)17(15)20)10-9-16(24)21-14-7-3-2-5-12(14)18/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide has a molecular weight of 385.68 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 113134341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).