N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide

C14H20BrNO2 — CID 107847815

IUPACN-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)c(O)c1
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-12(13(17)10-11)14(18)16-9-5-3-2-4-8-15/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyROACWGYUYOGGIU-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.39
Rot. Bonds7

About N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide

N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide (PubChem CID 107847815) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
PubChem CID107847815
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)c(O)c1
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-12(13(17)10-11)14(18)16-9-5-3-2-4-8-15/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyROACWGYUYOGGIU-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
12-bromo-1-(2-hydroxy-4-methylphenyl)dodecan-1-one
CID 11696351
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide (CID 107847815) is N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCCBr)c(O)c1.
What is the InChIKey of N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is ROACWGYUYOGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-6-7-12(13(17)10-11)14(18)16-9-5-3-2-4-8-15/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide?
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 107847815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).