4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide

C12H11Br2F2NO — CID 114315907

IUPAC4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H11Br2F2NO/c13-7-3-9(15)11(10(16)4-7)12(18)17-5-8(14)6-1-2-6/h3-4,6,8H,1-2,5H2,(H,17,18)
InChIKeyWESUUJHUPQWYRK-UHFFFAOYSA-N
MW383.03 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide

4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide (PubChem CID 114315907) has the molecular formula C12H11Br2F2NO and a molecular weight of 383.03 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
PubChem CID114315907
Molecular FormulaC12H11Br2F2NO
Molecular Weight383.03 g/mol
Exact Mass380.92
IUPAC Name4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H11Br2F2NO/c13-7-3-9(15)11(10(16)4-7)12(18)17-5-8(14)6-1-2-6/h3-4,6,8H,1-2,5H2,(H,17,18)
InChIKeyWESUUJHUPQWYRK-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 53.63
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

4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750
N-(2-bromo-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 113275950
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide (CID 114315907) is 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide is O=C(NCC(Br)C1CC1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide?
The InChIKey is WESUUJHUPQWYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2F2NO/c13-7-3-9(15)11(10(16)4-7)12(18)17-5-8(14)6-1-2-6/h3-4,6,8H,1-2,5H2,(H,17,18).
What are the key properties of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide?
4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide has a molecular weight of 383.03 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide is sourced from PubChem (CID 114315907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).