3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C17H19ClN2O — CID 77080685

IUPAC3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13H2,1H3
InChIKeyKTKPAPMJVWTDSU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.37
Rot. Bonds6

About 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 77080685) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID77080685
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13H2,1H3
InChIKeyKTKPAPMJVWTDSU-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 77080685) is 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is KTKPAPMJVWTDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 77080685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).