3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide

C18H15Cl2N3O2 — CID 113133827

IUPAC3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-6-16(19)17(20)10-15)8-7-18(25)22-14-4-2-3-13(9-14)11-21/h2-6,9-10H,7-8H2,1H3,(H,22,25)
InChIKeyQSRMPYQTKSFDQZ-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.25
Rot. Bonds5

About 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide

3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide (PubChem CID 113133827) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
PubChem CID113133827
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-6-16(19)17(20)10-15)8-7-18(25)22-14-4-2-3-13(9-14)11-21/h2-6,9-10H,7-8H2,1H3,(H,22,25)
InChIKeyQSRMPYQTKSFDQZ-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-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide (CID 113133827) is 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide?
The InChIKey is QSRMPYQTKSFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-12(24)23(15-5-6-16(19)17(20)10-15)8-7-18(25)22-14-4-2-3-13(9-14)11-21/h2-6,9-10H,7-8H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide?
3-(N-acetyl-3,4-dichloroanilino)-N-(3-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-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 113133827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).