2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

C17H18BrNO2 — CID 706306

IUPAC2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-10(2)13-9-15(11(3)8-16(13)20)19-17(21)12-6-4-5-7-14(12)18/h4-10,20H,1-3H3,(H,19,21)
InChIKeyQPPHQNQUJAJWPR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.84
Rot. Bonds3

About 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (PubChem CID 706306) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
PubChem CID706306
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-10(2)13-9-15(11(3)8-16(13)20)19-17(21)12-6-4-5-7-14(12)18/h4-10,20H,1-3H3,(H,19,21)
InChIKeyQPPHQNQUJAJWPR-UHFFFAOYSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-isopropyl-5-methylphenyl)-3-phenylacrylamide
CID 706322
4-chloro-N-(4-hydroxy-5-isopropyl-2-methylphenyl)benzamide
CID 885260
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide
CID 1548109
N-(4-hydroxy-phenyl)-4-cyclohexyl-benzamide
CID 54171586
4-(1,1-Dimethylethyl)-N-(4-hydroxyphenyl)benzamide
CID 667621
N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 11717472
N-(4-hydroxy-3,5-diisopropylphenyl)-4-methylbenzamide
CID 693427
3-chloro-N-(4-hydroxy-5-isopropyl-2-methylphenyl)benzamide
CID 706296
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-4-phenylbenzamide
CID 155532556
N-(4-hydroxy-2-methylphenyl)benzamide
CID 800820
N-(4-hydroxy-3-methylphenyl)benzamide
CID 699334
N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 139347840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (CID 706306) is 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The InChIKey is QPPHQNQUJAJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-10(2)13-9-15(11(3)8-16(13)20)19-17(21)12-6-4-5-7-14(12)18/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 706306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).