2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide

C14H13ClN2O — CID 79041942

IUPAC2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
SMILESCc1ncccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-10-12(8-5-9-16-10)17-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,17,18)
InChIKeySXBBZZXVDPQBBB-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide

2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide (PubChem CID 79041942) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
PubChem CID79041942
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
SMILESCc1ncccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-10-12(8-5-9-16-10)17-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,17,18)
InChIKeySXBBZZXVDPQBBB-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.31
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

(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
2-(benzhydrylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 168957839
N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide (CID 79041942) is 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide is Cc1ncccc1NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide?
The InChIKey is SXBBZZXVDPQBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-12(8-5-9-16-10)17-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide?
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide has a molecular weight of 260.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 79041942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).