3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide

C19H18Cl2N2O3 — CID 113133926

IUPAC3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c1-12(24)14-4-3-5-16(10-14)22-19(26)8-9-23(13(2)25)18-7-6-15(20)11-17(18)21/h3-7,10-11H,8-9H2,1-2H3,(H,22,26)
InChIKeyYNTRSWZBGSVKHJ-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.58
Rot. Bonds6

About 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide

3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide (PubChem CID 113133926) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
PubChem CID113133926
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c1-12(24)14-4-3-5-16(10-14)22-19(26)8-9-23(13(2)25)18-7-6-15(20)11-17(18)21/h3-7,10-11H,8-9H2,1-2H3,(H,22,26)
InChIKeyYNTRSWZBGSVKHJ-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
methyl 3-[3-(N-acetyl-2,3,4-trifluoroanilino)propanoylamino]benzoate
CID 113135306
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide (CID 113133926) is 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide?
The InChIKey is YNTRSWZBGSVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-12(24)14-4-3-5-16(10-14)22-19(26)8-9-23(13(2)25)18-7-6-15(20)11-17(18)21/h3-7,10-11H,8-9H2,1-2H3,(H,22,26).
What are the key properties of 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide?
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide has a molecular weight of 393.27 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113133926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).