5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide

C12H15BrClNO — CID 92742810

IUPAC5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO/c1-7(2)8(3)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyCYPCZVSELFYDRS-QMMMGPOBSA-N
MW304.62 g/mol
LogP3.88
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide

5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 92742810) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID92742810
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO/c1-7(2)8(3)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyCYPCZVSELFYDRS-QMMMGPOBSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
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2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
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2-chloro-N-[(2R)-3-methylbutan-2-yl]-5-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 92742810) is 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is CYPCZVSELFYDRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-7(2)8(3)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide?
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 304.62 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 92742810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).