5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide

C15H22BrNO2 — CID 103600383

IUPAC5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-10(2)5-4-6-11(3)17-15(19)13-9-12(16)7-8-14(13)18/h7-11,18H,4-6H2,1-3H3,(H,17,19)
InChIKeyCZXSPISASRRPRU-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.10
Rot. Bonds6

About 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide

5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide (PubChem CID 103600383) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
PubChem CID103600383
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-10(2)5-4-6-11(3)17-15(19)13-9-12(16)7-8-14(13)18/h7-11,18H,4-6H2,1-3H3,(H,17,19)
InChIKeyCZXSPISASRRPRU-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
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N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
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5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
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CID 107729294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide (CID 103600383) is 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is CZXSPISASRRPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)5-4-6-11(3)17-15(19)13-9-12(16)7-8-14(13)18/h7-11,18H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide?
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 328.25 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 103600383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).