N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

C16H12ClN3O2 — CID 9072722

IUPACN-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-10-2-7-13(8-14(10)17)19-15(21)11-3-5-12(6-4-11)16-20-18-9-22-16/h2-9H,1H3,(H,19,21)
InChIKeyUYIBIERDGOXSMH-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9072722) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9072722
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-10-2-7-13(8-14(10)17)19-15(21)11-3-5-12(6-4-11)16-20-18-9-22-16/h2-9H,1H3,(H,19,21)
InChIKeyUYIBIERDGOXSMH-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-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

Related Compounds

N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(4-methyl-1H-pyrazol-5-yl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 104620146
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 61249051
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9072722) is N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is UYIBIERDGOXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-2-7-13(8-14(10)17)19-15(21)11-3-5-12(6-4-11)16-20-18-9-22-16/h2-9H,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9072722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).