4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide

C14H20BrNO2 — CID 97239157

IUPAC4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H20BrNO2/c1-9(2)4-5-10(3)16-14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyYULPWBKIPJBLSW-SNVBAGLBSA-N
MW314.22 g/mol
LogP3.71
Rot. Bonds5

About 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide

4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide (PubChem CID 97239157) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
PubChem CID97239157
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H20BrNO2/c1-9(2)4-5-10(3)16-14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyYULPWBKIPJBLSW-SNVBAGLBSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840
(2R)-2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103357
2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103388
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
4-bromo-N-(1-cyanobutan-2-yl)-3-hydroxybenzamide
CID 113442307
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide (CID 97239157) is 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide is CC(C)CC[C@@H](C)NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide?
The InChIKey is YULPWBKIPJBLSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)4-5-10(3)16-14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,4-5H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide?
4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide is sourced from PubChem (CID 97239157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).