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

C18H14F3N3O2 — CID 110321450

IUPAC2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCc1ccc(-c2nnc(CCNC(=O)c3ccc(F)c(F)c3F)o2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-10-2-4-11(5-3-10)18-24-23-14(26-18)8-9-22-17(25)12-6-7-13(19)16(21)15(12)20/h2-7H,8-9H2,1H3,(H,22,25)
InChIKeyNZRUVHSGCVRRBS-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.43
Rot. Bonds5

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

2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (PubChem CID 110321450) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
PubChem CID110321450
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCc1ccc(-c2nnc(CCNC(=O)c3ccc(F)c(F)c3F)o2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-10-2-4-11(5-3-10)18-24-23-14(26-18)8-9-22-17(25)12-6-7-13(19)16(21)15(12)20/h2-7H,8-9H2,1H3,(H,22,25)
InChIKeyNZRUVHSGCVRRBS-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321754
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110718765
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
3,4-difluoro-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321955
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320797

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (CID 110321450) is 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is Cc1ccc(-c2nnc(CCNC(=O)c3ccc(F)c(F)c3F)o2)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The InChIKey is NZRUVHSGCVRRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-2-4-11(5-3-10)18-24-23-14(26-18)8-9-22-17(25)12-6-7-13(19)16(21)15(12)20/h2-7H,8-9H2,1H3,(H,22,25).
What are the key properties of 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110321450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).