2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide

C16H11Cl3N4O — CID 4867060

IUPAC2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl3N4O/c17-12-4-2-1-3-11(12)15(24)21-16-20-9-23(22-16)8-10-5-6-13(18)14(19)7-10/h1-7,9H,8H2,(H,21,22,24)
InChIKeyXRCHPOWMRZEPDV-UHFFFAOYSA-N
MW381.65 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide

2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 4867060) has the molecular formula C16H11Cl3N4O and a molecular weight of 381.65 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID4867060
Molecular FormulaC16H11Cl3N4O
Molecular Weight381.65 g/mol
Exact Mass380.00
IUPAC Name2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl3N4O/c17-12-4-2-1-3-11(12)15(24)21-16-20-9-23(22-16)8-10-5-6-13(18)14(19)7-10/h1-7,9H,8H2,(H,21,22,24)
InChIKeyXRCHPOWMRZEPDV-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide (CID 4867060) is 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide is O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is XRCHPOWMRZEPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4O/c17-12-4-2-1-3-11(12)15(24)21-16-20-9-23(22-16)8-10-5-6-13(18)14(19)7-10/h1-7,9H,8H2,(H,21,22,24).
What are the key properties of 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 381.65 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 4867060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).