N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide

C13H11ClFN3O — CID 172553032

IUPACN-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide
SMILESNc1cc(NC(=O)Cc2ccc(Cl)cc2)cnc1F
InChIInChI=1S/C13H11ClFN3O/c14-9-3-1-8(2-4-9)5-12(19)18-10-6-11(16)13(15)17-7-10/h1-4,6-7H,5,16H2,(H,18,19)
InChIKeyUGOSCMPIFRZYMB-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.64
Rot. Bonds3

About N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide

N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide (PubChem CID 172553032) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide
PubChem CID172553032
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide
SMILESNc1cc(NC(=O)Cc2ccc(Cl)cc2)cnc1F
InChIInChI=1S/C13H11ClFN3O/c14-9-3-1-8(2-4-9)5-12(19)18-10-6-11(16)13(15)17-7-10/h1-4,6-7H,5,16H2,(H,18,19)
InChIKeyUGOSCMPIFRZYMB-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 177311596
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide (CID 172553032) is N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide is Nc1cc(NC(=O)Cc2ccc(Cl)cc2)cnc1F.
What is the InChIKey of N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is UGOSCMPIFRZYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-3-1-8(2-4-9)5-12(19)18-10-6-11(16)13(15)17-7-10/h1-4,6-7H,5,16H2,(H,18,19).
What are the key properties of N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide?
N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 279.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 172553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).