N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide

C17H10BrClFN3O — CID 11361776

IUPACN-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H10BrClFN3O/c18-11-4-6-15(22-9-11)23-17(24)12-5-3-10(8-14(12)20)16-13(19)2-1-7-21-16/h1-9H,(H,22,23,24)
InChIKeyJBIQFZJTBDOJSC-UHFFFAOYSA-N
MW406.64 g/mol
LogP4.95
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide (PubChem CID 11361776) has the molecular formula C17H10BrClFN3O and a molecular weight of 406.64 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
PubChem CID11361776
Molecular FormulaC17H10BrClFN3O
Molecular Weight406.64 g/mol
Exact Mass404.97
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H10BrClFN3O/c18-11-4-6-15(22-9-11)23-17(24)12-5-3-10(8-14(12)20)16-13(19)2-1-7-21-16/h1-9H,(H,22,23,24)
InChIKeyJBIQFZJTBDOJSC-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide (CID 11361776) is N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cn1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is JBIQFZJTBDOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClFN3O/c18-11-4-6-15(22-9-11)23-17(24)12-5-3-10(8-14(12)20)16-13(19)2-1-7-21-16/h1-9H,(H,22,23,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 406.64 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 11361776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).