N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C16H8ClF4N3O2 — CID 75420058

IUPACN-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H8ClF4N3O2/c17-10-2-1-3-11(12(10)18)22-14(25)9-6-4-8(5-7-9)13-23-15(26-24-13)16(19,20)21/h1-7H,(H,22,25)
InChIKeyUHEQIPXULUPPOP-UHFFFAOYSA-N
MW385.70 g/mol
LogP4.80
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 75420058) has the molecular formula C16H8ClF4N3O2 and a molecular weight of 385.70 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID75420058
Molecular FormulaC16H8ClF4N3O2
Molecular Weight385.70 g/mol
Exact Mass385.02
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H8ClF4N3O2/c17-10-2-1-3-11(12(10)18)22-14(25)9-6-4-8(5-7-9)13-23-15(26-24-13)16(19,20)21/h1-7H,(H,22,25)
InChIKeyUHEQIPXULUPPOP-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.70
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(S)-methylsulfinyl]phenyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99814846
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
CID 130442122
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
2-(2,6-dichlorophenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193360
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777420
N-(6-amino-3-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813751
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-(2-fluorophenyl)sulfonyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370186
N-[1-[(2,6-dichlorophenyl)methoxy-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138668398

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 75420058) is N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1cccc(Cl)c1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UHEQIPXULUPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF4N3O2/c17-10-2-1-3-11(12(10)18)22-14(25)9-6-4-8(5-7-9)13-23-15(26-24-13)16(19,20)21/h1-7H,(H,22,25).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 385.70 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 75420058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).