N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C17H16BrF2N3O2 — CID 60521847

IUPACN-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H16BrF2N3O2/c1-9(2)15(17(25)22-13-7-6-10(18)8-21-13)23-16(24)14-11(19)4-3-5-12(14)20/h3-9,15H,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyGFPVLVCSHSNPIS-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 60521847) has the molecular formula C17H16BrF2N3O2 and a molecular weight of 412.23 g/mol. Its IUPAC name is N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID60521847
Molecular FormulaC17H16BrF2N3O2
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC NameN-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H16BrF2N3O2/c1-9(2)15(17(25)22-13-7-6-10(18)8-21-13)23-16(24)14-11(19)4-3-5-12(14)20/h3-9,15H,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyGFPVLVCSHSNPIS-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
2,6-difluoro-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]benzamide
CID 43006925
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2,6-difluoro-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 46525186
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 30600780
2,6-difluoro-N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 97012243
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-propan-2-ylanilino)butan-2-yl]benzamide
CID 43005455
N-[(2R)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 2104226
N-[1-[4-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 78776471
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 60521847) is N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is GFPVLVCSHSNPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O2/c1-9(2)15(17(25)22-13-7-6-10(18)8-21-13)23-16(24)14-11(19)4-3-5-12(14)20/h3-9,15H,1-2H3,(H,23,24)(H,21,22,25).
What are the key properties of N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 412.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 60521847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).