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

C21H16ClF5N4O2 — CID 140894002

IUPACN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(N1CCC(F)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H16ClF5N4O2/c22-15-8-14(3-4-16(15)24)31(21(32)30-6-5-13(23)10-30)9-12-2-1-11(7-17(12)25)19-28-29-20(33-19)18(26)27/h1-4,7-8,13,18H,5-6,9-10H2
InChIKeyLXPRYLAIWYSUNB-UHFFFAOYSA-N
MW486.83 g/mol
LogP5.78
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide (PubChem CID 140894002) has the molecular formula C21H16ClF5N4O2 and a molecular weight of 486.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
PubChem CID140894002
Molecular FormulaC21H16ClF5N4O2
Molecular Weight486.83 g/mol
Exact Mass486.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(N1CCC(F)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H16ClF5N4O2/c22-15-8-14(3-4-16(15)24)31(21(32)30-6-5-13(23)10-30)9-12-2-1-11(7-17(12)25)19-28-29-20(33-19)18(26)27/h1-4,7-8,13,18H,5-6,9-10H2
InChIKeyLXPRYLAIWYSUNB-UHFFFAOYSA-N
XLogP5.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(3-hydroxypyrrolidin-1-yl)acetamide
CID 134561730
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-piperazin-1-ylacetamide
CID 126544959
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]formamide;3-fluoro-1-methylpyrrolidine
CID 169107098
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
[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl-phenylcarbamoyl] 3-fluoroazetidine-1-carboxylate
CID 175846192
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894719
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]-1,1-dioxo-N-(4-pyridin-4-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894550
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[4-(1-methylpiperidin-4-yl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895019
CID 171831968
CID 171831968

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]-3-fluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide (CID 140894002) is N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide is O=C(N1CCC(F)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]-3-fluoropyrrolidine-1-carboxamide?
The InChIKey is LXPRYLAIWYSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF5N4O2/c22-15-8-14(3-4-16(15)24)31(21(32)30-6-5-13(23)10-30)9-12-2-1-11(7-17(12)25)19-28-29-20(33-19)18(26)27/h1-4,7-8,13,18H,5-6,9-10H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide has a molecular weight of 486.83 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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]-3-fluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 140894002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).