2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide

C18H15ClFN3O2 — CID 43974470

IUPAC2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3Cl)o2)cc1C
InChIInChI=1S/C18H15ClFN3O2/c1-10-3-4-12(7-11(10)2)8-16-22-23-18(25-16)21-17(24)14-6-5-13(20)9-15(14)19/h3-7,9H,8H2,1-2H3,(H,21,23,24)
InChIKeyMMPOYJNRTUEEGD-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide

2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (PubChem CID 43974470) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
PubChem CID43974470
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3Cl)o2)cc1C
InChIInChI=1S/C18H15ClFN3O2/c1-10-3-4-12(7-11(10)2)8-16-22-23-18(25-16)21-17(24)14-6-5-13(20)9-15(14)19/h3-7,9H,8H2,1-2H3,(H,21,23,24)
InChIKeyMMPOYJNRTUEEGD-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974453
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43974321
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
CID 43973703
5-bromo-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43974245
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43974265
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974330
3-(4-chlorophenyl)sulfanyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974366
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43974276
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43974404
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 43974466
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 41179193
4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (CID 43974470) is 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is Cc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3Cl)o2)cc1C.
What is the InChIKey of 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The InChIKey is MMPOYJNRTUEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-10-3-4-12(7-11(10)2)8-16-22-23-18(25-16)21-17(24)14-6-5-13(20)9-15(14)19/h3-7,9H,8H2,1-2H3,(H,21,23,24).
What are the key properties of 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide has a molecular weight of 359.79 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 43974470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).