N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide

C18H20BrNO — CID 84512530

IUPACN-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-12-9-15(19)11-16(10-12)20-17(21)13-5-7-14(8-6-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyAUXKTGXAWXUGRK-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.31
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide

N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide (PubChem CID 84512530) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
PubChem CID84512530
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-12-9-15(19)11-16(10-12)20-17(21)13-5-7-14(8-6-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyAUXKTGXAWXUGRK-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(3-bromo-5-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107578454
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide (CID 84512530) is N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide?
The InChIKey is AUXKTGXAWXUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-9-15(19)11-16(10-12)20-17(21)13-5-7-14(8-6-13)18(2,3)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide?
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide has a molecular weight of 346.27 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 84512530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).