2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide

C16H15Cl2N3O2 — CID 113179578

IUPAC2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-11(22)21(15-3-2-13(17)8-14(15)18)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyGQRKIGLNPFDGSX-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.06
Rot. Bonds5

About 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113179578) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113179578
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-11(22)21(15-3-2-13(17)8-14(15)18)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyGQRKIGLNPFDGSX-UHFFFAOYSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 113179578) is 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GQRKIGLNPFDGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-11(22)21(15-3-2-13(17)8-14(15)18)10-16(23)20-9-12-4-6-19-7-5-12/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 352.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113179578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).