2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide

C15H15ClN2O — CID 62995149

IUPAC2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(Cl)c2ccccc2)cn1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-12(9-17-11)10-18-15(19)14(16)13-5-3-2-4-6-13/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMBBAJTGEIHDDBK-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide (PubChem CID 62995149) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
PubChem CID62995149
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(Cl)c2ccccc2)cn1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-12(9-17-11)10-18-15(19)14(16)13-5-3-2-4-6-13/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMBBAJTGEIHDDBK-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 94182165
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide (CID 62995149) is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide is Cc1ccc(CNC(=O)C(Cl)c2ccccc2)cn1.
What is the InChIKey of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide?
The InChIKey is MBBAJTGEIHDDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-7-8-12(9-17-11)10-18-15(19)14(16)13-5-3-2-4-6-13/h2-9,14H,10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide?
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide has a molecular weight of 274.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 62995149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).