N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide

C14H11F4N3O — CID 69401637

IUPACN-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1c(C(F)(F)F)cnc(N)c1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11F4N3O/c1-7-9(14(16,17)18)6-20-12(19)11(7)21-13(22)8-4-2-3-5-10(8)15/h2-6H,1H3,(H2,19,20)(H,21,22)
InChIKeyCKSSFGAYDSRGBE-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.38
Rot. Bonds2

About N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide

N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 69401637) has the molecular formula C14H11F4N3O and a molecular weight of 313.25 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID69401637
Molecular FormulaC14H11F4N3O
Molecular Weight313.25 g/mol
Exact Mass313.08
IUPAC NameN-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1c(C(F)(F)F)cnc(N)c1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11F4N3O/c1-7-9(14(16,17)18)6-20-12(19)11(7)21-13(22)8-4-2-3-5-10(8)15/h2-6H,1H3,(H2,19,20)(H,21,22)
InChIKeyCKSSFGAYDSRGBE-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide (CID 69401637) is N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide is Cc1c(C(F)(F)F)cnc(N)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is CKSSFGAYDSRGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O/c1-7-9(14(16,17)18)6-20-12(19)11(7)21-13(22)8-4-2-3-5-10(8)15/h2-6H,1H3,(H2,19,20)(H,21,22).
What are the key properties of N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide?
N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 313.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 69401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).