5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide

C19H13BrFN3O2 — CID 68847958

IUPAC5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)Nc2cccnc2)c1)c1cccc(Br)c1
InChIInChI=1S/C19H13BrFN3O2/c20-13-4-1-3-12(9-13)18(25)23-14-6-7-17(21)16(10-14)19(26)24-15-5-2-8-22-11-15/h1-11H,(H,23,25)(H,24,26)
InChIKeyYYCNRIIXRGDZRG-UHFFFAOYSA-N
MW414.23 g/mol
LogP4.49
Rot. Bonds4

About 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide

5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide (PubChem CID 68847958) has the molecular formula C19H13BrFN3O2 and a molecular weight of 414.23 g/mol. Its IUPAC name is 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
PubChem CID68847958
Molecular FormulaC19H13BrFN3O2
Molecular Weight414.23 g/mol
Exact Mass413.02
IUPAC Name5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)Nc2cccnc2)c1)c1cccc(Br)c1
InChIInChI=1S/C19H13BrFN3O2/c20-13-4-1-3-12(9-13)18(25)23-14-6-7-17(21)16(10-14)19(26)24-15-5-2-8-22-11-15/h1-11H,(H,23,25)(H,24,26)
InChIKeyYYCNRIIXRGDZRG-UHFFFAOYSA-N
XLogP4.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.23
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337764
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561918
cis-(1S,3R)-3-[[4-fluoro-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95392256
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide (CID 68847958) is 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide is O=C(Nc1ccc(F)c(C(=O)Nc2cccnc2)c1)c1cccc(Br)c1.
What is the InChIKey of 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide?
The InChIKey is YYCNRIIXRGDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O2/c20-13-4-1-3-12(9-13)18(25)23-14-6-7-17(21)16(10-14)19(26)24-15-5-2-8-22-11-15/h1-11H,(H,23,25)(H,24,26).
What are the key properties of 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide?
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide has a molecular weight of 414.23 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 68847958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).