3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide

C18H15Cl2N3O2 — CID 113135172

IUPAC3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-2-13(11-21)3-6-15)9-8-18(25)22-17-7-4-14(19)10-16(17)20/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyCFLPIDUYTOKVCN-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.25
Rot. Bonds5

About 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide

3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 113135172) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
PubChem CID113135172
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-2-13(11-21)3-6-15)9-8-18(25)22-17-7-4-14(19)10-16(17)20/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyCFLPIDUYTOKVCN-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-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113132956
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide (CID 113135172) is 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is CFLPIDUYTOKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-2-13(11-21)3-6-15)9-8-18(25)22-17-7-4-14(19)10-16(17)20/h2-7,10H,8-9H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)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-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113135172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).