2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide

C12H9ClFN3O — CID 114052632

IUPAC2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C12H9ClFN3O/c13-7-1-3-9(10(15)5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18)
InChIKeyFIFUGUNJZKEFTE-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide

2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide (PubChem CID 114052632) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
PubChem CID114052632
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C12H9ClFN3O/c13-7-1-3-9(10(15)5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18)
InChIKeyFIFUGUNJZKEFTE-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220
2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 150110924
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide (CID 114052632) is 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1ccc(F)nc1.
What is the InChIKey of 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide?
The InChIKey is FIFUGUNJZKEFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-7-1-3-9(10(15)5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,15H2,(H,17,18).
What are the key properties of 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide?
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide has a molecular weight of 265.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 114052632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).