N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C17H13ClFN3O3 — CID 1434973

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O
InChIInChI=1S/C17H13ClFN3O3/c1-10-13(18)3-2-4-14(10)20-15(23)9-22-16(21-25-17(22)24)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyZCAIUYMXYKDESJ-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.24
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 1434973) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID1434973
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O
InChIInChI=1S/C17H13ClFN3O3/c1-10-13(18)3-2-4-14(10)20-15(23)9-22-16(21-25-17(22)24)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyZCAIUYMXYKDESJ-UHFFFAOYSA-N
XLogP3.24
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-chloro-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
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N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
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CID 1434967
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CID 2604427
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CID 18591894
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CID 42269239
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-difluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
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N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 49807261
2-[2-(4-Chlorophenyl)-4-methyl-6-oxopyrimidin-1-YL]-N-(2-fluorophenyl)acetamide
CID 91887518
1-(3-chloro-2-methylphenyl)-3-((4-methylbenzyl)amino)pyrazin-2(1H)-one
CID 18591891
2-[2-(4-Chlorophenyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-(2-methylphenyl)acetamide
CID 91887513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 1434973) is N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is ZCAIUYMXYKDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-10-13(18)3-2-4-14(10)20-15(23)9-22-16(21-25-17(22)24)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 361.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 1434973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).