N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide

C12H9ClFN3O — CID 58997299

IUPACN-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
SMILESNc1cccc(NC(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9ClFN3O/c13-9-6-7(14)4-5-8(9)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H3,15,16,17,18)
InChIKeyLRTXUZZJIUIUNM-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide

N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide (PubChem CID 58997299) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
PubChem CID58997299
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
SMILESNc1cccc(NC(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9ClFN3O/c13-9-6-7(14)4-5-8(9)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H3,15,16,17,18)
InChIKeyLRTXUZZJIUIUNM-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

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Related Compounds

6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
CID 142780032
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
CID 163786051

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide (CID 58997299) is N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide is Nc1cccc(NC(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide?
The InChIKey is LRTXUZZJIUIUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-9-6-7(14)4-5-8(9)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H3,15,16,17,18).
What are the key properties of N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide?
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide 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 N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 58997299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).