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

C20H18ClN3O — CID 113018544

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)11-20(25)24-18-9-10-19(22-13-18)23-17-4-2-3-16(21)12-17/h2-10,12-13H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyHNNLNZBXVMVIMC-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.97
Rot. Bonds5

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

N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 113018544) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID113018544
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)11-20(25)24-18-9-10-19(22-13-18)23-17-4-2-3-16(21)12-17/h2-10,12-13H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyHNNLNZBXVMVIMC-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

Analyze N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (CID 113018544) is N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is HNNLNZBXVMVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-5-7-15(8-6-14)11-20(25)24-18-9-10-19(22-13-18)23-17-4-2-3-16(21)12-17/h2-10,12-13H,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-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-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113018544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).