2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide

C13H15Br2NO — CID 107983998

IUPAC2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(Br)C2CC2)c1Br
InChIInChI=1S/C13H15Br2NO/c1-8-3-2-4-10(12(8)15)13(17)16-7-11(14)9-5-6-9/h2-4,9,11H,5-7H2,1H3,(H,16,17)
InChIKeySSVYSHFDOHPGDX-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.66
Rot. Bonds4

About 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide

2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide (PubChem CID 107983998) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
PubChem CID107983998
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(Br)C2CC2)c1Br
InChIInChI=1S/C13H15Br2NO/c1-8-3-2-4-10(12(8)15)13(17)16-7-11(14)9-5-6-9/h2-4,9,11H,5-7H2,1H3,(H,16,17)
InChIKeySSVYSHFDOHPGDX-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
CID 103853537
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
CID 103855530
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-3-methylbenzamide
CID 114023824
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-(2-bromo-2-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 113275942
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide (CID 107983998) is 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(Br)C2CC2)c1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide?
The InChIKey is SSVYSHFDOHPGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-8-3-2-4-10(12(8)15)13(17)16-7-11(14)9-5-6-9/h2-4,9,11H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide?
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide has a molecular weight of 361.08 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide is sourced from PubChem (CID 107983998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).