N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C25H22ClN3O2 — CID 10159882

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(Cl)cc4)cc3)c2)o1
InChIInChI=1S/C25H22ClN3O2/c1-16-4-7-21(24-28-27-17(2)31-24)14-23(16)19-8-10-20(11-9-19)25(30)29(3)15-18-5-12-22(26)13-6-18/h4-14H,15H2,1-3H3
InChIKeyFCHPZLSLIWSCQU-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.95
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10159882) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10159882
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(Cl)cc4)cc3)c2)o1
InChIInChI=1S/C25H22ClN3O2/c1-16-4-7-21(24-28-27-17(2)31-24)14-23(16)19-8-10-20(11-9-19)25(30)29(3)15-18-5-12-22(26)13-6-18/h4-14H,15H2,1-3H3
InChIKeyFCHPZLSLIWSCQU-UHFFFAOYSA-N
XLogP5.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]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 N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10159882) is N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(Cl)cc4)cc3)c2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is FCHPZLSLIWSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-4-7-21(24-28-27-17(2)31-24)14-23(16)19-8-10-20(11-9-19)25(30)29(3)15-18-5-12-22(26)13-6-18/h4-14H,15H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10159882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).