N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide

C23H22BrNO — CID 53267962

IUPACN-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C23H22BrNO/c1-23(2,3)19-13-14-21(20(24)15-19)25-22(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26)
InChIKeyVQFRBSFEWCDTGJ-UHFFFAOYSA-N
MW408.34 g/mol
LogP6.67
Rot. Bonds3

About N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide

N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide (PubChem CID 53267962) has the molecular formula C23H22BrNO and a molecular weight of 408.34 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
PubChem CID53267962
Molecular FormulaC23H22BrNO
Molecular Weight408.34 g/mol
Exact Mass407.09
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C23H22BrNO/c1-23(2,3)19-13-14-21(20(24)15-19)25-22(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26)
InChIKeyVQFRBSFEWCDTGJ-UHFFFAOYSA-N
XLogP6.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
3-bromo-4-[(5-tert-butyl-2-hydroxybenzoyl)amino]benzoic acid
CID 86272699
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide (CID 53267962) is N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide?
The InChIKey is VQFRBSFEWCDTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO/c1-23(2,3)19-13-14-21(20(24)15-19)25-22(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide?
N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide has a molecular weight of 408.34 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide is sourced from PubChem (CID 53267962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).