N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide

C13H18BrNO2 — CID 107673205

IUPACN-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
SMILESCCC(Br)CCNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-3-11(14)6-7-15-13(17)10-4-5-12(16)9(2)8-10/h4-5,8,11,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyWGYVXEZVUQGYSR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.99
Rot. Bonds5

About N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide

N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107673205) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
PubChem CID107673205
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
SMILESCCC(Br)CCNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-3-11(14)6-7-15-13(17)10-4-5-12(16)9(2)8-10/h4-5,8,11,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyWGYVXEZVUQGYSR-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.99
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

4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
CID 103957172
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide (CID 107673205) is N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide is CCC(Br)CCNC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is WGYVXEZVUQGYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-11(14)6-7-15-13(17)10-4-5-12(16)9(2)8-10/h4-5,8,11,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide?
N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).