N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide

C13H9ClFN3O2 — CID 103891694

IUPACN-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H9ClFN3O2/c14-11-9(5-7(15)6-17-11)13(20)18-10-4-2-1-3-8(10)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyYNMMBBOEEDJHEC-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.23
Rot. Bonds3

About N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide

N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide (PubChem CID 103891694) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
PubChem CID103891694
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC NameN-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H9ClFN3O2/c14-11-9(5-7(15)6-17-11)13(20)18-10-4-2-1-3-8(10)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyYNMMBBOEEDJHEC-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.23
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

2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347045
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998
2-chloro-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide (CID 103891694) is N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide is NC(=O)c1ccccc1NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The InChIKey is YNMMBBOEEDJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-11-9(5-7(15)6-17-11)13(20)18-10-4-2-1-3-8(10)12(16)19/h1-6H,(H2,16,19)(H,18,20).
What are the key properties of N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide has a molecular weight of 293.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103891694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).