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

C23H18ClN3O2 — CID 41466869

IUPACN-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)o1
InChIInChI=1S/C23H18ClN3O2/c1-14-6-3-4-7-18(14)23-27-26-22(29-23)17-12-10-16(11-13-17)21(28)25-20-9-5-8-19(24)15(20)2/h3-13H,1-2H3,(H,25,28)
InChIKeyAGHPZMLJDSQXQR-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.93
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41466869) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID41466869
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)o1
InChIInChI=1S/C23H18ClN3O2/c1-14-6-3-4-7-18(14)23-27-26-22(29-23)17-12-10-16(11-13-17)21(28)25-20-9-5-8-19(24)15(20)2/h3-13H,1-2H3,(H,25,28)
InChIKeyAGHPZMLJDSQXQR-UHFFFAOYSA-N
XLogP5.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
5-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-2-methylaniline
CID 16026383
2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1300425
N-{2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzyl}-N-(3-fluorophenyl)amine
CID 15990103
3-Chloro-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]-2-methylaniline
CID 16026365
N-{2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-benzamide
CID 3166885
N-({2-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-YL]phenyl}methyl)-4-fluoroaniline
CID 15990124
N-({2-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-YL]phenyl}methyl)-3-ethylaniline
CID 15990125
N-[[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-fluoro-2-methylaniline
CID 15990129
N-[(2-Chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-YL]methyl]-2-ethylaniline
CID 15990155
N-(3-methanimidoylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 44629612

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41466869) is N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is AGHPZMLJDSQXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-14-6-3-4-7-18(14)23-27-26-22(29-23)17-12-10-16(11-13-17)21(28)25-20-9-5-8-19(24)15(20)2/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41466869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).