N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

C20H18ClN3O — CID 113018452

IUPACN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-5-4-6-15(11-14)12-20(25)23-16-9-10-19(22-13-16)24-18-8-3-2-7-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDKRJKBXYGQKZDU-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.97
Rot. Bonds5

About N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113018452) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113018452
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-5-4-6-15(11-14)12-20(25)23-16-9-10-19(22-13-16)24-18-8-3-2-7-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDKRJKBXYGQKZDU-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
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-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113022288

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113018452) is N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)nc2)c1.
What is the InChIKey of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is DKRJKBXYGQKZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-5-4-6-15(11-14)12-20(25)23-16-9-10-19(22-13-16)24-18-8-3-2-7-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 351.84 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113018452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).