N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide

C11H14BrFN2O — CID 81483150

IUPACN-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
SMILESCC(C)(N)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14)6-15-10(16)8-5-7(13)3-4-9(8)12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyGTMDZRAWWUYSLU-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.06
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide

N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide (PubChem CID 81483150) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
PubChem CID81483150
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
SMILESCC(C)(N)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14)6-15-10(16)8-5-7(13)3-4-9(8)12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyGTMDZRAWWUYSLU-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 61262982

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide (CID 81483150) is N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide is CC(C)(N)CNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The InChIKey is GTMDZRAWWUYSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,14)6-15-10(16)8-5-7(13)3-4-9(8)12/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide has a molecular weight of 289.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 81483150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).