N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide

C15H14BrNO2 — CID 2089579

IUPACN-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-10-2-7-14(13(16)8-10)17-15(19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyDCOPJRFOJDREIY-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.50
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide

N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide (PubChem CID 2089579) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
PubChem CID2089579
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-10-2-7-14(13(16)8-10)17-15(19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyDCOPJRFOJDREIY-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl] propanoate
CID 5031417
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
N-(2-bromo-4-ethylphenyl)-3-methylbenzamide
CID 53268245
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
[3-bromo-4-[(4-methylbenzoyl)amino]phenyl] acetate
CID 23527622

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide (CID 2089579) is N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CO)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide?
The InChIKey is DCOPJRFOJDREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-2-7-14(13(16)8-10)17-15(19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide?
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 2089579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).