4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide

C15H14BrNO2 — CID 5241422

IUPAC4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)cc(C)c1O
InChIInChI=1S/C15H14BrNO2/c1-9-7-13(8-10(2)14(9)18)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyQFDZDPCZDNJAJM-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds2

About 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide

4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide (PubChem CID 5241422) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide
PubChem CID5241422
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)cc(C)c1O
InChIInChI=1S/C15H14BrNO2/c1-9-7-13(8-10(2)14(9)18)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyQFDZDPCZDNJAJM-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
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-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
N-(4-bromophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210283
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
CID 28667958
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide (CID 5241422) is 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2)cc(C)c1O.
What is the InChIKey of 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide?
The InChIKey is QFDZDPCZDNJAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-7-13(8-10(2)14(9)18)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide?
4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 5241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).