N-(4-bromo-2-methylphenyl)-2-phenylbenzamide

C20H16BrNO — CID 1307536

IUPACN-(4-bromo-2-methylphenyl)-2-phenylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrNO/c1-14-13-16(21)11-12-19(14)22-20(23)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23)
InChIKeyWWBIUSYDBOWVSA-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.68
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-phenylbenzamide

N-(4-bromo-2-methylphenyl)-2-phenylbenzamide (PubChem CID 1307536) has the molecular formula C20H16BrNO and a molecular weight of 366.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-phenylbenzamide
PubChem CID1307536
Molecular FormulaC20H16BrNO
Molecular Weight366.26 g/mol
Exact Mass365.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-phenylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrNO/c1-14-13-16(21)11-12-19(14)22-20(23)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23)
InChIKeyWWBIUSYDBOWVSA-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-phenylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-phenylbenzamide (CID 1307536) is N-(4-bromo-2-methylphenyl)-2-phenylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-phenylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-phenylbenzamide is Cc1cc(Br)ccc1NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-phenylbenzamide?
The InChIKey is WWBIUSYDBOWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO/c1-14-13-16(21)11-12-19(14)22-20(23)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-phenylbenzamide?
N-(4-bromo-2-methylphenyl)-2-phenylbenzamide has a molecular weight of 366.26 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-phenylbenzamide is sourced from PubChem (CID 1307536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).