N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide

C13H16BrNO2 — CID 114315762

IUPACN-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(Br)C2CC2)c1
InChIInChI=1S/C13H16BrNO2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7H2,1H3,(H,15,17)
InChIKeyDHEWAZFSVZPEDT-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.60
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide

N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide (PubChem CID 114315762) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
PubChem CID114315762
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(Br)C2CC2)c1
InChIInChI=1S/C13H16BrNO2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7H2,1H3,(H,15,17)
InChIKeyDHEWAZFSVZPEDT-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.60
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-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
CID 107157185
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide (CID 114315762) is N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC(Br)C2CC2)c1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is DHEWAZFSVZPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7H2,1H3,(H,15,17).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 298.18 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 114315762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).