N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide

C24H18Cl3N3O3 — CID 95063951

IUPACN-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@]1(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H18Cl3N3O3/c1-14(31)30-24(2,16-9-12-19(26)20(27)13-16)33-23(29-30)18-5-3-4-6-21(18)28-22(32)15-7-10-17(25)11-8-15/h3-13H,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyMJMPRJYGEPQLHD-XMMPIXPASA-N
MW502.79 g/mol
LogP6.31
Rot. Bonds4

About N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide

N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide (PubChem CID 95063951) has the molecular formula C24H18Cl3N3O3 and a molecular weight of 502.79 g/mol. Its IUPAC name is N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
PubChem CID95063951
Molecular FormulaC24H18Cl3N3O3
Molecular Weight502.79 g/mol
Exact Mass501.04
IUPAC NameN-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
SMILESCC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@]1(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H18Cl3N3O3/c1-14(31)30-24(2,16-9-12-19(26)20(27)13-16)33-23(29-30)18-5-3-4-6-21(18)28-22(32)15-7-10-17(25)11-8-15/h3-13H,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyMJMPRJYGEPQLHD-XMMPIXPASA-N
XLogP6.31
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.79
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-acetyl-5-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 46284906
N-[2-[(2R)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
CID 92707047
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
CID 5299787
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9324882
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide (CID 95063951) is N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide is CC(=O)N1N=C(c2ccccc2NC(=O)c2ccc(Cl)cc2)O[C@]1(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The InChIKey is MJMPRJYGEPQLHD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18Cl3N3O3/c1-14(31)30-24(2,16-9-12-19(26)20(27)13-16)33-23(29-30)18-5-3-4-6-21(18)28-22(32)15-7-10-17(25)11-8-15/h3-13H,1-2H3,(H,28,32)/t24-/m1/s1.
What are the key properties of N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide has a molecular weight of 502.79 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5R)-4-acetyl-5-(3,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 95063951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).