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

C12H9ClFN3O — CID 114254070

IUPAC4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2cncc(F)c2)cc1Cl
InChIInChI=1S/C12H9ClFN3O/c13-10-3-7(1-2-11(10)15)12(18)17-9-4-8(14)5-16-6-9/h1-6H,15H2,(H,17,18)
InChIKeyOVUBFIWOOQFCLA-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide

4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide (PubChem CID 114254070) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
PubChem CID114254070
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2cncc(F)c2)cc1Cl
InChIInChI=1S/C12H9ClFN3O/c13-10-3-7(1-2-11(10)15)12(18)17-9-4-8(14)5-16-6-9/h1-6H,15H2,(H,17,18)
InChIKeyOVUBFIWOOQFCLA-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

4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
[4-[2-amino-4-[(5-fluoro-3-pyridinyl)carbamoyl]phenyl]sulfanylphenyl]carbamic acid
CID 91053108
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114253904
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide (CID 114254070) is 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide is Nc1ccc(C(=O)Nc2cncc(F)c2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The InChIKey is OVUBFIWOOQFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-10-3-7(1-2-11(10)15)12(18)17-9-4-8(14)5-16-6-9/h1-6H,15H2,(H,17,18).
What are the key properties of 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
4-amino-3-chloro-N-(5-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 4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 114254070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).