N-(3-bromophenyl)-2-phenylbenzamide

C19H14BrNO — CID 2199124

IUPACN-(3-bromophenyl)-2-phenylbenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H14BrNO/c20-15-9-6-10-16(13-15)21-19(22)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H,21,22)
InChIKeySHPWUGQGFDDBRS-UHFFFAOYSA-N
MW352.23 g/mol
LogP5.37
Rot. Bonds3

About N-(3-bromophenyl)-2-phenylbenzamide

N-(3-bromophenyl)-2-phenylbenzamide (PubChem CID 2199124) has the molecular formula C19H14BrNO and a molecular weight of 352.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-phenylbenzamide
PubChem CID2199124
Molecular FormulaC19H14BrNO
Molecular Weight352.23 g/mol
Exact Mass351.03
IUPAC NameN-(3-bromophenyl)-2-phenylbenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H14BrNO/c20-15-9-6-10-16(13-15)21-19(22)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H,21,22)
InChIKeySHPWUGQGFDDBRS-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.23
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-phenylbenzamide?
The IUPAC name of N-(3-bromophenyl)-2-phenylbenzamide (CID 2199124) is N-(3-bromophenyl)-2-phenylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-phenylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-2-phenylbenzamide is O=C(Nc1cccc(Br)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(3-bromophenyl)-2-phenylbenzamide?
The InChIKey is SHPWUGQGFDDBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO/c20-15-9-6-10-16(13-15)21-19(22)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H,21,22).
What are the key properties of N-(3-bromophenyl)-2-phenylbenzamide?
N-(3-bromophenyl)-2-phenylbenzamide has a molecular weight of 352.23 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-phenylbenzamide is sourced from PubChem (CID 2199124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).