N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide

C14H11F2N3O2 — CID 107358587

IUPACN-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1F
InChIInChI=1S/C14H11F2N3O2/c1-8(20)18-12-7-9(4-5-11(12)15)19-14(21)10-3-2-6-17-13(10)16/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCTFJYGIEWNQXFI-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.57
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide (PubChem CID 107358587) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
PubChem CID107358587
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1F
InChIInChI=1S/C14H11F2N3O2/c1-8(20)18-12-7-9(4-5-11(12)15)19-14(21)10-3-2-6-17-13(10)16/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCTFJYGIEWNQXFI-UHFFFAOYSA-N
XLogP2.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.57
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-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N-[4-tert-butyl-3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-fluoropyridine-3-carboxamide
CID 69260763
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 94033104
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide (CID 107358587) is N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2cccnc2F)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is CTFJYGIEWNQXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-8(20)18-12-7-9(4-5-11(12)15)19-14(21)10-3-2-6-17-13(10)16/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.57, 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)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).