N-(2,3-dichlorophenyl)-4-phenylbenzamide

C19H13Cl2NO — CID 3094078

IUPACN-(2,3-dichlorophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13Cl2NO/c20-16-7-4-8-17(18(16)21)22-19(23)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeySXYGWNXGGMBNBT-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.91
Rot. Bonds3

About N-(2,3-dichlorophenyl)-4-phenylbenzamide

N-(2,3-dichlorophenyl)-4-phenylbenzamide (PubChem CID 3094078) has the molecular formula C19H13Cl2NO and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-phenylbenzamide
PubChem CID3094078
Molecular FormulaC19H13Cl2NO
Molecular Weight342.23 g/mol
Exact Mass341.04
IUPAC NameN-(2,3-dichlorophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13Cl2NO/c20-16-7-4-8-17(18(16)21)22-19(23)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeySXYGWNXGGMBNBT-UHFFFAOYSA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-phenylbenzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-phenylbenzamide (CID 3094078) is N-(2,3-dichlorophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-phenylbenzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-phenylbenzamide?
The InChIKey is SXYGWNXGGMBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO/c20-16-7-4-8-17(18(16)21)22-19(23)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,22,23).
What are the key properties of N-(2,3-dichlorophenyl)-4-phenylbenzamide?
N-(2,3-dichlorophenyl)-4-phenylbenzamide has a molecular weight of 342.23 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-phenylbenzamide is sourced from PubChem (CID 3094078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).