2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide

C12H12Br3NO — CID 114375801

IUPAC2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
SMILESO=C(NCC(Br)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br3NO/c13-8-3-4-10(14)9(5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,16,17)
InChIKeyPDACHEMPHHDGRZ-UHFFFAOYSA-N
MW425.95 g/mol
LogP4.11
Rot. Bonds4

About 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide

2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide (PubChem CID 114375801) has the molecular formula C12H12Br3NO and a molecular weight of 425.95 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
PubChem CID114375801
Molecular FormulaC12H12Br3NO
Molecular Weight425.95 g/mol
Exact Mass422.85
IUPAC Name2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
SMILESO=C(NCC(Br)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br3NO/c13-8-3-4-10(14)9(5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,16,17)
InChIKeyPDACHEMPHHDGRZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.95
LogP ≤ 54.11
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

2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114315907
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide (CID 114375801) is 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide is O=C(NCC(Br)C1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide?
The InChIKey is PDACHEMPHHDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br3NO/c13-8-3-4-10(14)9(5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,16,17).
What are the key properties of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide?
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide has a molecular weight of 425.95 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide is sourced from PubChem (CID 114375801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).