2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide

C20H19Cl2N3O2 — CID 83288196

IUPAC2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
SMILESCc1ccc(-c2noc(C(NC(=O)c3ccccc3Cl)C(C)C)n2)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-11(2)17(23-19(26)14-6-4-5-7-15(14)21)20-24-18(25-27-20)13-9-8-12(3)16(22)10-13/h4-11,17H,1-3H3,(H,23,26)
InChIKeyCOOZUYPQEGTVDB-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.48
Rot. Bonds5

About 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide

2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide (PubChem CID 83288196) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
PubChem CID83288196
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
SMILESCc1ccc(-c2noc(C(NC(=O)c3ccccc3Cl)C(C)C)n2)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-11(2)17(23-19(26)14-6-4-5-7-15(14)21)20-24-18(25-27-20)13-9-8-12(3)16(22)10-13/h4-11,17H,1-3H3,(H,23,26)
InChIKeyCOOZUYPQEGTVDB-UHFFFAOYSA-N
XLogP5.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide 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

N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-chlorobenzamide
CID 98234867
N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-3-methylbutanamide
CID 91635804
2-chloro-N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 83288742
2-chloro-N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]benzamide
CID 91635121
2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-methylsulfanylbenzamide
CID 47078876
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
2-bromo-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 118984645
2-bromo-N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124712245
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide (CID 83288196) is 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide is Cc1ccc(-c2noc(C(NC(=O)c3ccccc3Cl)C(C)C)n2)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The InChIKey is COOZUYPQEGTVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-11(2)17(23-19(26)14-6-4-5-7-15(14)21)20-24-18(25-27-20)13-9-8-12(3)16(22)10-13/h4-11,17H,1-3H3,(H,23,26).
What are the key properties of 2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
2-chloro-N-[1-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide has a molecular weight of 404.30 g/mol, XLogP of 5.48, 5 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-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 83288196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).