3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide

C17H15Cl3N2O2 — CID 113127330

IUPAC3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(13-5-2-4-12(18)10-13)9-8-16(24)21-17-14(19)6-3-7-15(17)20/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyOHBIOFPJHSTYFJ-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.03
Rot. Bonds5

About 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113127330) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
PubChem CID113127330
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(13-5-2-4-12(18)10-13)9-8-16(24)21-17-14(19)6-3-7-15(17)20/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyOHBIOFPJHSTYFJ-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-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113132959
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide (CID 113127330) is 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is OHBIOFPJHSTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-11(23)22(13-5-2-4-12(18)10-13)9-8-16(24)21-17-14(19)6-3-7-15(17)20/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)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-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113127330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).