N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide

C14H11ClFN3O2 — CID 60723641

IUPACN-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(Cl)nc2)ccc1F
InChIInChI=1S/C14H11ClFN3O2/c1-8(20)18-12-6-10(3-4-11(12)16)19-14(21)9-2-5-13(15)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyYZNUOLYITYNVNG-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.08
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide (PubChem CID 60723641) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
PubChem CID60723641
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC NameN-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(Cl)nc2)ccc1F
InChIInChI=1S/C14H11ClFN3O2/c1-8(20)18-12-6-10(3-4-11(12)16)19-14(21)9-2-5-13(15)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyYZNUOLYITYNVNG-UHFFFAOYSA-N
XLogP3.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide (CID 60723641) is N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc(Cl)nc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is YZNUOLYITYNVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c1-8(20)18-12-6-10(3-4-11(12)16)19-14(21)9-2-5-13(15)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide has a molecular weight of 307.71 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 60723641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).