N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide

C11H14BrNO2 — CID 107673076

IUPACN-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)Br)ccc1O
InChIInChI=1S/C11H14BrNO2/c1-7-5-9(3-4-10(7)14)11(15)13-6-8(2)12/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyRMCSGPBTELDHAS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.21
Rot. Bonds3

About N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide

N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107673076) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
PubChem CID107673076
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)Br)ccc1O
InChIInChI=1S/C11H14BrNO2/c1-7-5-9(3-4-10(7)14)11(15)13-6-8(2)12/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyRMCSGPBTELDHAS-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.21
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-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
CID 107673205
4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
CID 114264190
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide (CID 107673076) is N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCC(C)Br)ccc1O.
What is the InChIKey of N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is RMCSGPBTELDHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-5-9(3-4-10(7)14)11(15)13-6-8(2)12/h3-5,8,14H,6H2,1-2H3,(H,13,15).
What are the key properties of N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide?
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).