5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide

C12H14Br2ClNO — CID 114314430

IUPAC5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14Br2ClNO/c1-3-12(2,7-13)16-11(17)9-6-8(14)4-5-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyFMQXPXROBDOCHR-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.40
Rot. Bonds4

About 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide

5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide (PubChem CID 114314430) has the molecular formula C12H14Br2ClNO and a molecular weight of 383.51 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
PubChem CID114314430
Molecular FormulaC12H14Br2ClNO
Molecular Weight383.51 g/mol
Exact Mass380.91
IUPAC Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14Br2ClNO/c1-3-12(2,7-13)16-11(17)9-6-8(14)4-5-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyFMQXPXROBDOCHR-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.40
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

5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide (CID 114314430) is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide is CCC(C)(CBr)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide?
The InChIKey is FMQXPXROBDOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2ClNO/c1-3-12(2,7-13)16-11(17)9-6-8(14)4-5-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide?
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide has a molecular weight of 383.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 114314430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).