4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide

C13H11ClFN3O — CID 65490063

IUPAC4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-7-4-5-17-12(14)11(7)18-13(19)9-3-2-8(16)6-10(9)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyMSZBUTQAEJFEFU-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

About 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide

4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide (PubChem CID 65490063) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
PubChem CID65490063
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-7-4-5-17-12(14)11(7)18-13(19)9-3-2-8(16)6-10(9)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyMSZBUTQAEJFEFU-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.02
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

3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 107794653
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 65489271
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
4-amino-N-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 82820376

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide (CID 65490063) is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide is Cc1ccnc(Cl)c1NC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide?
The InChIKey is MSZBUTQAEJFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-4-5-17-12(14)11(7)18-13(19)9-3-2-8(16)6-10(9)15/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide?
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 65490063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).