2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C16H17ClN2O — CID 110755605

IUPAC2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyANRIJVUZUMFISV-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110755605) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110755605
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyANRIJVUZUMFISV-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110755605) is 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is ANRIJVUZUMFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 288.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110755605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).