4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C13H13ClFN3O2 — CID 91762262

IUPAC4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCN(C)C(=O)c2ccc(Cl)cc2F)no1
InChIInChI=1S/C13H13ClFN3O2/c1-8-16-12(17-20-8)5-6-18(2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6H2,1-2H3
InChIKeyNSUXGZQTHADQGG-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 91762262) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID91762262
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCN(C)C(=O)c2ccc(Cl)cc2F)no1
InChIInChI=1S/C13H13ClFN3O2/c1-8-16-12(17-20-8)5-6-18(2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6H2,1-2H3
InChIKeyNSUXGZQTHADQGG-UHFFFAOYSA-N
XLogP2.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
3-(2,6-dichlorophenyl)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 126803731
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106423147
N,2,2-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 136542412
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 91762262) is 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1nc(CCN(C)C(=O)c2ccc(Cl)cc2F)no1.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is NSUXGZQTHADQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-8-16-12(17-20-8)5-6-18(2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 297.72 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 91762262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).