3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide

C12H9ClFN3O — CID 112576003

IUPAC3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)cn2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-8(2-1-3-9(11)15)12(18)17-10-5-4-7(14)6-16-10/h1-6H,15H2,(H,16,17,18)
InChIKeyBUOBKZYWCBEUNT-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide

3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 112576003) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID112576003
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)cn2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-8(2-1-3-9(11)15)12(18)17-10-5-4-7(14)6-16-10/h1-6H,15H2,(H,16,17,18)
InChIKeyBUOBKZYWCBEUNT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
3-fluoro-N-(5-fluoro-2-pyridinyl)-2-hydrazinylbenzamide
CID 65481879
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
6-amino-3-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 65482280
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide (CID 112576003) is 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide is Nc1cccc(C(=O)Nc2ccc(F)cn2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is BUOBKZYWCBEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-8(2-1-3-9(11)15)12(18)17-10-5-4-7(14)6-16-10/h1-6H,15H2,(H,16,17,18).
What are the key properties of 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
3-amino-2-chloro-N-(5-fluoro-2-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 3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 112576003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).