2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

C15H15ClN2O — CID 43565135

IUPAC2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-18(11-13-9-5-6-10-17-13)15(19)14(16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyZHHUFSNOYKGKRQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43565135) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43565135
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-18(11-13-9-5-6-10-17-13)15(19)14(16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyZHHUFSNOYKGKRQ-UHFFFAOYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
CID 107471201
(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95284461
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 43565135) is 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is CN(Cc1ccccn1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZHHUFSNOYKGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(11-13-9-5-6-10-17-13)15(19)14(16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 274.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43565135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).