2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C17H13ClFN3O3 — CID 110320138

IUPAC2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1
InChIInChI=1S/C17H13ClFN3O3/c1-24-11-7-5-10(6-8-11)17-22-21-14(25-17)9-20-16(23)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyOSCSGUPNSGQKGY-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.47
Rot. Bonds5

About 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110320138) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110320138
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1
InChIInChI=1S/C17H13ClFN3O3/c1-24-11-7-5-10(6-8-11)17-22-21-14(25-17)9-20-16(23)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyOSCSGUPNSGQKGY-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
2-chloro-6-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318570
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319582
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110320093
2-chloro-N-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 4605771
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloro-6-fluorobenzoate
CID 18201015
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110320138) is 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccc(-c2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is OSCSGUPNSGQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-24-11-7-5-10(6-8-11)17-22-21-14(25-17)9-20-16(23)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 361.76 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110320138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).