4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide

C15H13BrFN3O — CID 134503946

IUPAC4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ncc(Br)cc1-c1ccc(C(=O)NC2CC2)c(F)c1
InChIInChI=1S/C15H13BrFN3O/c16-9-6-12(14(18)19-7-9)8-1-4-11(13(17)5-8)15(21)20-10-2-3-10/h1,4-7,10H,2-3H2,(H2,18,19)(H,20,21)
InChIKeyUILIMXJVCSNLEC-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.12
Rot. Bonds3

About 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide

4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide (PubChem CID 134503946) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide
PubChem CID134503946
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ncc(Br)cc1-c1ccc(C(=O)NC2CC2)c(F)c1
InChIInChI=1S/C15H13BrFN3O/c16-9-6-12(14(18)19-7-9)8-1-4-11(13(17)5-8)15(21)20-10-2-3-10/h1,4-7,10H,2-3H2,(H2,18,19)(H,20,21)
InChIKeyUILIMXJVCSNLEC-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide (CID 134503946) is 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide is Nc1ncc(Br)cc1-c1ccc(C(=O)NC2CC2)c(F)c1.
What is the InChIKey of 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is UILIMXJVCSNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c16-9-6-12(14(18)19-7-9)8-1-4-11(13(17)5-8)15(21)20-10-2-3-10/h1,4-7,10H,2-3H2,(H2,18,19)(H,20,21).
What are the key properties of 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide?
4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 350.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-bromo-3-pyridinyl)-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 134503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).