N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

C20H17Cl2N3O — CID 113022187

IUPACN-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)nc2)c1
InChIInChI=1S/C20H17Cl2N3O/c1-13-3-2-4-14(9-13)10-20(26)25-16-6-8-19(23-12-16)24-15-5-7-17(21)18(22)11-15/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyVROOEZKMWIXWKG-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.62
Rot. Bonds5

About N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113022187) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113022187
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)nc2)c1
InChIInChI=1S/C20H17Cl2N3O/c1-13-3-2-4-14(9-13)10-20(26)25-16-6-8-19(23-12-16)24-15-5-7-17(21)18(22)11-15/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyVROOEZKMWIXWKG-UHFFFAOYSA-N
XLogP5.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113022187) is N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)nc2)c1.
What is the InChIKey of N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VROOEZKMWIXWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-13-3-2-4-14(9-13)10-20(26)25-16-6-8-19(23-12-16)24-15-5-7-17(21)18(22)11-15/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 386.28 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113022187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).