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

C18H14F3N3O3 — CID 110321754

IUPAC2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1-c1nnc(CCNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C18H14F3N3O3/c1-26-13-5-3-2-4-10(13)18-24-23-14(27-18)8-9-22-17(25)11-6-7-12(19)16(21)15(11)20/h2-7H,8-9H2,1H3,(H,22,25)
InChIKeyGIOHRPBSMDXWIR-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.13
Rot. Bonds6

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

2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (PubChem CID 110321754) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
PubChem CID110321754
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1-c1nnc(CCNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C18H14F3N3O3/c1-26-13-5-3-2-4-10(13)18-24-23-14(27-18)8-9-22-17(25)11-6-7-12(19)16(21)15(11)20/h2-7H,8-9H2,1H3,(H,22,25)
InChIKeyGIOHRPBSMDXWIR-UHFFFAOYSA-N
XLogP3.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2-(4-methoxyphenyl)-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321732
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320225
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (CID 110321754) is 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is COc1ccccc1-c1nnc(CCNC(=O)c2ccc(F)c(F)c2F)o1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The InChIKey is GIOHRPBSMDXWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-26-13-5-3-2-4-10(13)18-24-23-14(27-18)8-9-22-17(25)11-6-7-12(19)16(21)15(11)20/h2-7H,8-9H2,1H3,(H,22,25).
What are the key properties of 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide has a molecular weight of 377.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110321754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).