2-bromo-N-(3-chlorophenyl)benzamide

C13H9BrClNO — CID 532188

IUPAC2-bromo-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H9BrClNO/c14-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(15)8-10/h1-8H,(H,16,17)
InChIKeyHHOCMNOMFNBDSB-UHFFFAOYSA-N
MW310.58 g/mol
LogP4.35
Rot. Bonds2

About 2-bromo-N-(3-chlorophenyl)benzamide

2-bromo-N-(3-chlorophenyl)benzamide (PubChem CID 532188) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is 2-bromo-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-chlorophenyl)benzamide
PubChem CID532188
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name2-bromo-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H9BrClNO/c14-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(15)8-10/h1-8H,(H,16,17)
InChIKeyHHOCMNOMFNBDSB-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chlorophenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-chlorophenyl)benzamide (CID 532188) is 2-bromo-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-chlorophenyl)benzamide?
The InChIKey is HHOCMNOMFNBDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(15)8-10/h1-8H,(H,16,17).
What are the key properties of 2-bromo-N-(3-chlorophenyl)benzamide?
2-bromo-N-(3-chlorophenyl)benzamide has a molecular weight of 310.58 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 532188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).