N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide

C14H19BrClNO2 — CID 114177999

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H19BrClNO2/c1-14(2,3)12(6-7-15)17-13(19)10-5-4-9(16)8-11(10)18/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyOUMNHLIULCZJLB-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.98
Rot. Bonds4

About N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide (PubChem CID 114177999) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
PubChem CID114177999
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H19BrClNO2/c1-14(2,3)12(6-7-15)17-13(19)10-5-4-9(16)8-11(10)18/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyOUMNHLIULCZJLB-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356212
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
CID 115665138
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide (CID 114177999) is N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide is CC(C)(C)C(CCBr)NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide?
The InChIKey is OUMNHLIULCZJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-14(2,3)12(6-7-15)17-13(19)10-5-4-9(16)8-11(10)18/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,19).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide has a molecular weight of 348.67 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 114177999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).