2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C17H20ClN3O2 — CID 109001550

IUPAC2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc(NCC(=O)N(C)CCc2ccncc2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21(10-7-13-5-8-19-9-6-13)17(22)12-20-14-3-4-16(23-2)15(18)11-14/h3-6,8-9,11,20H,7,10,12H2,1-2H3
InChIKeyQSPLXWIVZHRKFA-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.86
Rot. Bonds7

About 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 109001550) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID109001550
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc(NCC(=O)N(C)CCc2ccncc2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21(10-7-13-5-8-19-9-6-13)17(22)12-20-14-3-4-16(23-2)15(18)11-14/h3-6,8-9,11,20H,7,10,12H2,1-2H3
InChIKeyQSPLXWIVZHRKFA-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113128397
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001593
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 109001550) is 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is COc1ccc(NCC(=O)N(C)CCc2ccncc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is QSPLXWIVZHRKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21(10-7-13-5-8-19-9-6-13)17(22)12-20-14-3-4-16(23-2)15(18)11-14/h3-6,8-9,11,20H,7,10,12H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 109001550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).