N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide

C16H16BrFN2O — CID 110495763

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ncc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-16(2,3)11-6-4-10(5-7-11)15(21)20-14-13(17)8-12(18)9-19-14/h4-9H,1-3H3,(H,19,20,21)
InChIKeyUZWAGJAIQHNGRH-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.53
Rot. Bonds2

About N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide

N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide (PubChem CID 110495763) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide
PubChem CID110495763
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ncc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-16(2,3)11-6-4-10(5-7-11)15(21)20-14-13(17)8-12(18)9-19-14/h4-9H,1-3H3,(H,19,20,21)
InChIKeyUZWAGJAIQHNGRH-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 110495864
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
N-(3,5-difluoro-2-pyridinyl)benzamide
CID 53404764
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
2-(3-bromo-5-fluoro-2-methylphenyl)-1-(4-tert-butylphenyl)ethanone
CID 158971533
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
N-(3-bromo-5-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 11437936
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide (CID 110495763) is N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ncc(F)cc2Br)cc1.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide?
The InChIKey is UZWAGJAIQHNGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-16(2,3)11-6-4-10(5-7-11)15(21)20-14-13(17)8-12(18)9-19-14/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide has a molecular weight of 351.22 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide is sourced from PubChem (CID 110495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).