2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

C19H15BrFN3O — CID 78811624

IUPAC2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1Br)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C19H15BrFN3O/c20-18-10-16(21)3-4-17(18)19(25)24(12-14-5-8-22-9-6-14)13-15-2-1-7-23-11-15/h1-11H,12-13H2
InChIKeyIGVZMNWRVISXNX-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.22
Rot. Bonds5

About 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 78811624) has the molecular formula C19H15BrFN3O and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID78811624
Molecular FormulaC19H15BrFN3O
Molecular Weight400.25 g/mol
Exact Mass399.04
IUPAC Name2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1Br)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C19H15BrFN3O/c20-18-10-16(21)3-4-17(18)19(25)24(12-14-5-8-22-9-6-14)13-15-2-1-7-23-11-15/h1-11H,12-13H2
InChIKeyIGVZMNWRVISXNX-UHFFFAOYSA-N
XLogP4.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 86906625
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
N-benzyl-2-bromo-4-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135938102
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 3626402
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 78811624) is 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(F)cc1Br)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is IGVZMNWRVISXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O/c20-18-10-16(21)3-4-17(18)19(25)24(12-14-5-8-22-9-6-14)13-15-2-1-7-23-11-15/h1-11H,12-13H2.
What are the key properties of 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 400.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 78811624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).