N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide

C15H19BrN2O2 — CID 79652409

IUPACN-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H19BrN2O2/c1-15(2,8-17)9-18(3)14(19)12-7-10-5-4-6-11(16)13(10)20-12/h4-7H,8-9,17H2,1-3H3
InChIKeyAUJOEMPJJRQPPV-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.25
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 79652409) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
PubChem CID79652409
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H19BrN2O2/c1-15(2,8-17)9-18(3)14(19)12-7-10-5-4-6-11(16)13(10)20-12/h4-7H,8-9,17H2,1-3H3
InChIKeyAUJOEMPJJRQPPV-UHFFFAOYSA-N
XLogP3.25
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
CID 63547761

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide (CID 79652409) is N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AUJOEMPJJRQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-15(2,8-17)9-18(3)14(19)12-7-10-5-4-6-11(16)13(10)20-12/h4-7H,8-9,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79652409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).