N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide

C14H21BrN2O — CID 81483938

IUPACN-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H21BrN2O/c1-4-14(16,5-2)9-17-13(18)11-7-6-8-12(15)10(11)3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyYLRUUMIETXUOPJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.00
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide

N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide (PubChem CID 81483938) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
PubChem CID81483938
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H21BrN2O/c1-4-14(16,5-2)9-17-13(18)11-7-6-8-12(15)10(11)3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyYLRUUMIETXUOPJ-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
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3-bromo-N-(2-bromopropyl)-2-methylbenzamide
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3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide (CID 81483938) is N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide is CCC(N)(CC)CNC(=O)c1cccc(Br)c1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide?
The InChIKey is YLRUUMIETXUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-14(16,5-2)9-17-13(18)11-7-6-8-12(15)10(11)3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide?
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide has a molecular weight of 313.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide is sourced from PubChem (CID 81483938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).