N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide

C14H10Cl2FN3O2 — CID 86576805

IUPACN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H10Cl2FN3O2/c15-11-6-5-10(13(16)20-11)19-12(21)7-18-14(22)8-1-3-9(17)4-2-8/h1-6H,7H2,(H,18,22)(H,19,21)
InChIKeyHGXMWUZBYQFEPM-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.90
Rot. Bonds4

About N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 86576805) has the molecular formula C14H10Cl2FN3O2 and a molecular weight of 342.16 g/mol. Its IUPAC name is N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID86576805
Molecular FormulaC14H10Cl2FN3O2
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC NameN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H10Cl2FN3O2/c15-11-6-5-10(13(16)20-11)19-12(21)7-18-14(22)8-1-3-9(17)4-2-8/h1-6H,7H2,(H,18,22)(H,19,21)
InChIKeyHGXMWUZBYQFEPM-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide (CID 86576805) is N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is HGXMWUZBYQFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O2/c15-11-6-5-10(13(16)20-11)19-12(21)7-18-14(22)8-1-3-9(17)4-2-8/h1-6H,7H2,(H,18,22)(H,19,21).
What are the key properties of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 342.16 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 86576805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).