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

C11H14BrNO2 — CID 82830177

IUPACN-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCCBr
InChIInChI=1S/C11H14BrNO2/c1-8-9(4-2-5-10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyOONYMRXBTCSXCR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.22
Rot. Bonds4

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

N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82830177) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
PubChem CID82830177
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCCBr
InChIInChI=1S/C11H14BrNO2/c1-8-9(4-2-5-10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15)
InChIKeyOONYMRXBTCSXCR-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.22
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

N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide (CID 82830177) is N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is OONYMRXBTCSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-9(4-2-5-10(8)14)11(15)13-7-3-6-12/h2,4-5,14H,3,6-7H2,1H3,(H,13,15).
What are the key properties of N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide?
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82830177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).