3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide

C17H16Cl2N2O2 — CID 113134105

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(16-10-13(18)9-14(19)11-16)8-7-17(23)20-15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyCJPSZHXWKOBABZ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.38
Rot. Bonds5

About 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide

3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide (PubChem CID 113134105) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
PubChem CID113134105
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(16-10-13(18)9-14(19)11-16)8-7-17(23)20-15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyCJPSZHXWKOBABZ-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113134144
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588
3-(N-acetyl-3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113134153
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide (CID 113134105) is 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide is CC(=O)N(CCC(=O)Nc1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide?
The InChIKey is CJPSZHXWKOBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-12(22)21(16-10-13(18)9-14(19)11-16)8-7-17(23)20-15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide has a molecular weight of 351.23 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide is sourced from PubChem (CID 113134105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).