4-bromo-N-phenylbenzamide

C13H10BrNO — CID 690966

IUPAC4-bromo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKeyQVTGXXQAVWWJRO-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.70
Rot. Bonds2

About 4-bromo-N-phenylbenzamide

4-bromo-N-phenylbenzamide (PubChem CID 690966) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 4-bromo-N-phenylbenzamide.

Molecular Properties

Compound Name4-bromo-N-phenylbenzamide
PubChem CID690966
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name4-bromo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKeyQVTGXXQAVWWJRO-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylbenzamide?
The IUPAC name of 4-bromo-N-phenylbenzamide (CID 690966) is 4-bromo-N-phenylbenzamide.
What is the SMILES notation for 4-bromo-N-phenylbenzamide?
The canonical SMILES for 4-bromo-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-phenylbenzamide?
The InChIKey is QVTGXXQAVWWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16).
What are the key properties of 4-bromo-N-phenylbenzamide?
4-bromo-N-phenylbenzamide has a molecular weight of 276.13 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenylbenzamide is sourced from PubChem (CID 690966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).