3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide

C14H18BrNO3 — CID 114629941

IUPAC3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(O)C2(C)C)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-14(2)11(7-12(14)17)16-13(18)8-4-5-10(19-3)9(15)6-8/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyXZAZMJQTRWHLGA-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.35
Rot. Bonds3

About 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide

3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide (PubChem CID 114629941) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
PubChem CID114629941
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(O)C2(C)C)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-14(2)11(7-12(14)17)16-13(18)8-4-5-10(19-3)9(15)6-8/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyXZAZMJQTRWHLGA-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide (CID 114629941) is 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CC(O)C2(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide?
The InChIKey is XZAZMJQTRWHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-14(2)11(7-12(14)17)16-13(18)8-4-5-10(19-3)9(15)6-8/h4-6,11-12,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide?
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide is sourced from PubChem (CID 114629941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).