3-amino-5-bromo-N-tert-butyl-2-methylbenzamide

C12H17BrN2O — CID 107871965

IUPAC3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-7-9(5-8(13)6-10(7)14)11(16)15-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyBGAYLJRNZIOMOI-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.87
Rot. Bonds1

About 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide

3-amino-5-bromo-N-tert-butyl-2-methylbenzamide (PubChem CID 107871965) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
PubChem CID107871965
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H17BrN2O/c1-7-9(5-8(13)6-10(7)14)11(16)15-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyBGAYLJRNZIOMOI-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 106289286
tert-butyl N-[3-[(3-amino-5-bromo-2-methylbenzoyl)amino]propyl]carbamate
CID 107873195
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide (CID 107871965) is 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide?
The InChIKey is BGAYLJRNZIOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7-9(5-8(13)6-10(7)14)11(16)15-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide?
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-tert-butyl-2-methylbenzamide is sourced from PubChem (CID 107871965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).