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

C24H19ClFN3O3 — CID 95063965

IUPACN-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2cccc(NC(=O)c3cccc(Cl)c3)c2)O[C@]1(C)c1ccc(F)cc1
InChIInChI=1S/C24H19ClFN3O3/c1-15(30)29-24(2,18-9-11-20(26)12-10-18)32-23(28-29)17-6-4-8-21(14-17)27-22(31)16-5-3-7-19(25)13-16/h3-14H,1-2H3,(H,27,31)/t24-/m1/s1
InChIKeyZKZIVJZCSJXQQZ-XMMPIXPASA-N
MW451.89 g/mol
LogP5.14
Rot. Bonds4

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

N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide (PubChem CID 95063965) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
PubChem CID95063965
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC NameN-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC(=O)N1N=C(c2cccc(NC(=O)c3cccc(Cl)c3)c2)O[C@]1(C)c1ccc(F)cc1
InChIInChI=1S/C24H19ClFN3O3/c1-15(30)29-24(2,18-9-11-20(26)12-10-18)32-23(28-29)17-6-4-8-21(14-17)27-22(31)16-5-3-7-19(25)13-16/h3-14H,1-2H3,(H,27,31)/t24-/m1/s1
InChIKeyZKZIVJZCSJXQQZ-XMMPIXPASA-N
XLogP5.14
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46090638
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3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-3-methylcyclobutyl]phenyl]benzamide
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3-chloro-N-(3-methylphenyl)benzamide
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N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide
CID 146000461
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 53020454
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide (CID 95063965) is N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide is CC(=O)N1N=C(c2cccc(NC(=O)c3cccc(Cl)c3)c2)O[C@]1(C)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
The InChIKey is ZKZIVJZCSJXQQZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c1-15(30)29-24(2,18-9-11-20(26)12-10-18)32-23(28-29)17-6-4-8-21(14-17)27-22(31)16-5-3-7-19(25)13-16/h3-14H,1-2H3,(H,27,31)/t24-/m1/s1.
What are the key properties of N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide?
N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide has a molecular weight of 451.89 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 95063965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).