2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide

C13H10ClFN2O — CID 107594821

IUPAC2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
SMILESO=C(Nc1ccncc1F)C(Cl)c1ccccc1
InChIInChI=1S/C13H10ClFN2O/c14-12(9-4-2-1-3-5-9)13(18)17-11-6-7-16-8-10(11)15/h1-8,12H,(H,16,17,18)
InChIKeyODKMRSMVUBMCIG-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide

2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide (PubChem CID 107594821) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
PubChem CID107594821
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
SMILESO=C(Nc1ccncc1F)C(Cl)c1ccccc1
InChIInChI=1S/C13H10ClFN2O/c14-12(9-4-2-1-3-5-9)13(18)17-11-6-7-16-8-10(11)15/h1-8,12H,(H,16,17,18)
InChIKeyODKMRSMVUBMCIG-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.14
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)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
2-(2-chlorophenyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156122
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
CID 62811265
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
N-(3-amino-4-pyridinyl)-2-phenylpropanamide
CID 114028695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide (CID 107594821) is 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide is O=C(Nc1ccncc1F)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide?
The InChIKey is ODKMRSMVUBMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-12(9-4-2-1-3-5-9)13(18)17-11-6-7-16-8-10(11)15/h1-8,12H,(H,16,17,18).
What are the key properties of 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide?
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide has a molecular weight of 264.69 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 107594821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).