N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide

C22H19ClF4N4O3 — CID 134561730

IUPACN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H19ClF4N4O3/c23-16-8-14(3-4-17(16)24)31(19(33)11-30-6-5-15(32)10-30)9-13-2-1-12(7-18(13)25)21-28-29-22(34-21)20(26)27/h1-4,7-8,15,20,32H,5-6,9-11H2
InChIKeyIFOIQMYISFZTJA-UHFFFAOYSA-N
MW498.86 g/mol
LogP4.21
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide

N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 134561730) has the molecular formula C22H19ClF4N4O3 and a molecular weight of 498.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID134561730
Molecular FormulaC22H19ClF4N4O3
Molecular Weight498.86 g/mol
Exact Mass498.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H19ClF4N4O3/c23-16-8-14(3-4-17(16)24)31(19(33)11-30-6-5-15(32)10-30)9-13-2-1-12(7-18(13)25)21-28-29-22(34-21)20(26)27/h1-4,7-8,15,20,32H,5-6,9-11H2
InChIKeyIFOIQMYISFZTJA-UHFFFAOYSA-N
XLogP4.21
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-morpholin-4-ylacetamide
CID 126544353
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(1,1-dihydroxy-1,4-thiazinan-4-yl)acetamide
CID 134561673
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-piperazin-1-ylacetamide
CID 126544959
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
CID 140894002
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide
CID 161020278
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]formamide;3-fluoro-1-methylpyrrolidine
CID 169107098
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 126505943
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(4-methylpiperazin-1-yl)ethanesulfinamide
CID 145239246
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethylsulfanyl-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 134568623
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
CID 140894217
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethyl-4-fluoro-N-phenylpiperidine-4-carboxamide
CID 156891786
[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl-phenylcarbamoyl] 3-fluoroazetidine-1-carboxylate
CID 175846192

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 134561730) is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide is O=C(CN1CCC(O)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is IFOIQMYISFZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF4N4O3/c23-16-8-14(3-4-17(16)24)31(19(33)11-30-6-5-15(32)10-30)9-13-2-1-12(7-18(13)25)21-28-29-22(34-21)20(26)27/h1-4,7-8,15,20,32H,5-6,9-11H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 498.86 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 134561730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).