3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide

C14H20BrNO2 — CID 104860295

IUPAC3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(CCO)C(C)C)c1
InChIInChI=1S/C14H20BrNO2/c1-9(2)13(4-5-17)16-14(18)11-6-10(3)7-12(15)8-11/h6-9,13,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyLAKNDPSAQDHUFD-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.89
Rot. Bonds5

About 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide

3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide (PubChem CID 104860295) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
PubChem CID104860295
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(CCO)C(C)C)c1
InChIInChI=1S/C14H20BrNO2/c1-9(2)13(4-5-17)16-14(18)11-6-10(3)7-12(15)8-11/h6-9,13,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyLAKNDPSAQDHUFD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-nitrobenzamide
CID 103820509
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide (CID 104860295) is 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NC(CCO)C(C)C)c1.
What is the InChIKey of 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide?
The InChIKey is LAKNDPSAQDHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)13(4-5-17)16-14(18)11-6-10(3)7-12(15)8-11/h6-9,13,17H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide?
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide is sourced from PubChem (CID 104860295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).