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

C24H20ClN3O2 — CID 10295475

IUPACN-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2)o1
InChIInChI=1S/C24H20ClN3O2/c1-15-3-6-20(24-28-27-16(2)30-24)13-22(15)18-7-9-19(10-8-18)23(29)26-14-17-4-11-21(25)12-5-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyPGONBMCLDBGMIY-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.60
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10295475) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10295475
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2)o1
InChIInChI=1S/C24H20ClN3O2/c1-15-3-6-20(24-28-27-16(2)30-24)13-22(15)18-7-9-19(10-8-18)23(29)26-14-17-4-11-21(25)12-5-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyPGONBMCLDBGMIY-UHFFFAOYSA-N
XLogP5.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10295475) is N-[(4-chlorophenyl)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]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is PGONBMCLDBGMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-15-3-6-20(24-28-27-16(2)30-24)13-22(15)18-7-9-19(10-8-18)23(29)26-14-17-4-11-21(25)12-5-17/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10295475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).