[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone

C16H11Cl2N3O — CID 626552

IUPAC[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone
SMILESCc1nncn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c1-10-20-19-9-21(10)15-7-6-11(17)8-13(15)16(22)12-4-2-3-5-14(12)18/h2-9H,1H3
InChIKeyMPEDDLDWEDSQOT-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.11
Rot. Bonds3

About [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone

[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone (PubChem CID 626552) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone
PubChem CID626552
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone
SMILESCc1nncn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c1-10-20-19-9-21(10)15-7-6-11(17)8-13(15)16(22)12-4-2-3-5-14(12)18/h2-9H,1H3
InChIKeyMPEDDLDWEDSQOT-UHFFFAOYSA-N
XLogP4.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

5-(((2-Aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 5069
1H-1,2,4-Triazole-3-carboxamide, 5-(((2-aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-, hydrochloride (1:1)
CID 9958041
(5-Chloro-2-(3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl)phenyl)phenylmethanone
CID 170010
[5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl]phenylmethanone
CID 12246016
4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-carboxaldehyde
CID 12611940
2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone
CID 6452950
Rilmazafone hydrochloride dihydrate
CID 135366
Triazolo-benzophenone
CID 163036
(5-Chloro-2-{3-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-4-yl}phenyl)(phenyl)methanone
CID 324092
(5-Chloro-2-(3-methyl-5-((methylamino)methyl)-4H-1,2,4-triazol-4-yl)phenyl)phenylmethanone
CID 3082478
(5-chloro-2-(4H-1,2,4-triazol-4-yl)phenyl)(phenyl)methanone
CID 12246022
[5-Chloro-2-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-(2-chlorophenyl)methanone
CID 13186916

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone (CID 626552) is [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone is Cc1nncn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone?
The InChIKey is MPEDDLDWEDSQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c1-10-20-19-9-21(10)15-7-6-11(17)8-13(15)16(22)12-4-2-3-5-14(12)18/h2-9H,1H3.
What are the key properties of [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone?
[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone has a molecular weight of 332.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 626552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).