2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide

C16H17ClN2O — CID 110437654

IUPAC2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-16(2,12-6-5-7-13(17)10-12)15(20)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyFMPUBUQWJDOQJX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide

2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 110437654) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID110437654
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-16(2,12-6-5-7-13(17)10-12)15(20)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyFMPUBUQWJDOQJX-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963414
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide (CID 110437654) is 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide is CC(C)(C(=O)NCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is FMPUBUQWJDOQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-16(2,12-6-5-7-13(17)10-12)15(20)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 110437654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).