N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide

C15H14BrNO3 — CID 107691090

IUPACN-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H14BrNO3/c16-11(10-5-2-1-3-6-10)9-17-15(20)14-12(18)7-4-8-13(14)19/h1-8,11,18-19H,9H2,(H,17,20)
InChIKeySEIKEVIWKZSCOS-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.96
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide

N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide (PubChem CID 107691090) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
PubChem CID107691090
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H14BrNO3/c16-11(10-5-2-1-3-6-10)9-17-15(20)14-12(18)7-4-8-13(14)19/h1-8,11,18-19H,9H2,(H,17,20)
InChIKeySEIKEVIWKZSCOS-UHFFFAOYSA-N
XLogP2.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 107526242
N-(2-ethylbutyl)-2,6-dihydroxybenzamide
CID 103890450
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide (CID 107691090) is N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide is O=C(NCC(Br)c1ccccc1)c1c(O)cccc1O.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide?
The InChIKey is SEIKEVIWKZSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-11(10-5-2-1-3-6-10)9-17-15(20)14-12(18)7-4-8-13(14)19/h1-8,11,18-19H,9H2,(H,17,20).
What are the key properties of N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide?
N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107691090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).