N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide

C13H11ClFN3O — CID 112555425

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)8-2-3-11(15)10(14)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyZUFRTBWBDDJIPC-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide

N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide (PubChem CID 112555425) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
PubChem CID112555425
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)8-2-3-11(15)10(14)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyZUFRTBWBDDJIPC-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

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
N-(5-amino-3-methyl-2-pyridinyl)-3-iodobenzamide
CID 112555248
N-(5-amino-3-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115910718
N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-amino-3-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 115910671
N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 115910681
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
CID 82874501
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide (CID 112555425) is N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide is Cc1cc(N)cnc1NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide?
The InChIKey is ZUFRTBWBDDJIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)8-2-3-11(15)10(14)5-8/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-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 N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 112555425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).