3,4-dichloro-N-phenylbenzamide

C13H9Cl2NO — CID 504156

IUPAC3,4-dichloro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyCPHJNUHQNATEEF-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.25
Rot. Bonds2

About 3,4-dichloro-N-phenylbenzamide

3,4-dichloro-N-phenylbenzamide (PubChem CID 504156) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 3,4-dichloro-N-phenylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-phenylbenzamide
PubChem CID504156
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name3,4-dichloro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyCPHJNUHQNATEEF-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-phenylbenzamide?
The IUPAC name of 3,4-dichloro-N-phenylbenzamide (CID 504156) is 3,4-dichloro-N-phenylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-phenylbenzamide?
The canonical SMILES for 3,4-dichloro-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-phenylbenzamide?
The InChIKey is CPHJNUHQNATEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of 3,4-dichloro-N-phenylbenzamide?
3,4-dichloro-N-phenylbenzamide has a molecular weight of 266.13 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-phenylbenzamide is sourced from PubChem (CID 504156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).