3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide

C18H15Cl2N3O2 — CID 113134040

IUPAC3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-16-5-3-2-4-13(16)11-21/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyXTILYBCHXTYQHY-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.25
Rot. Bonds5

About 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide

3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide (PubChem CID 113134040) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
PubChem CID113134040
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-16-5-3-2-4-13(16)11-21/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyXTILYBCHXTYQHY-UHFFFAOYSA-N
XLogP4.25
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,5-dichloroanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134010
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
CID 113133155
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 113135172

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide (CID 113134040) is 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C#N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide?
The InChIKey is XTILYBCHXTYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-12(24)23(17-10-14(19)6-7-15(17)20)9-8-18(25)22-16-5-3-2-4-13(16)11-21/h2-7,10H,8-9H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide?
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide has a molecular weight of 376.24 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113134040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).