2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide

C15H10Cl2N4O — CID 6461277

IUPAC2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C15H10Cl2N4O/c16-12-3-1-2-4-14(12)20-15(22)11-6-5-10(7-13(11)17)21-8-18-19-9-21/h1-9H,(H,20,22)
InChIKeyCEJPLNWYBBFAIN-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6461277) has the molecular formula C15H10Cl2N4O and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6461277
Molecular FormulaC15H10Cl2N4O
Molecular Weight333.18 g/mol
Exact Mass332.02
IUPAC Name2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C15H10Cl2N4O/c16-12-3-1-2-4-14(12)20-15(22)11-6-5-10(7-13(11)17)21-8-18-19-9-21/h1-9H,(H,20,22)
InChIKeyCEJPLNWYBBFAIN-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 6461277) is 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is CEJPLNWYBBFAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O/c16-12-3-1-2-4-14(12)20-15(22)11-6-5-10(7-13(11)17)21-8-18-19-9-21/h1-9H,(H,20,22).
What are the key properties of 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 333.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6461277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).