N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide

C20H18F6N4O3 — CID 138597928

IUPACN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CCC(F)(F)C[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C20H18F6N4O3/c1-19(23,24)18(32)27-12-4-5-20(25,26)7-13(12)30-8-10-3-2-9(6-11(10)17(30)31)15-28-29-16(33-15)14(21)22/h2-3,6,12-14H,4-5,7-8H2,1H3,(H,27,32)/t12-,13-/m1/s1
InChIKeyFWLZYHQSGLRBCS-CHWSQXEVSA-N
MW476.38 g/mol
LogP3.96
Rot. Bonds5

About N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide (PubChem CID 138597928) has the molecular formula C20H18F6N4O3 and a molecular weight of 476.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide
PubChem CID138597928
Molecular FormulaC20H18F6N4O3
Molecular Weight476.38 g/mol
Exact Mass476.13
IUPAC NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CCC(F)(F)C[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C20H18F6N4O3/c1-19(23,24)18(32)27-12-4-5-20(25,26)7-13(12)30-8-10-3-2-9(6-11(10)17(30)31)15-28-29-16(33-15)14(21)22/h2-3,6,12-14H,4-5,7-8H2,1H3,(H,27,32)/t12-,13-/m1/s1
InChIKeyFWLZYHQSGLRBCS-CHWSQXEVSA-N
XLogP3.96
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide with MolForge

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Related Compounds

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide
CID 138598272
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
CID 138598484
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,3,3,3-pentafluoropropanamide
CID 162611446
tert-butyl N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]carbamate
CID 137472305
2-[(1R)-3,3-difluorocyclohexyl]-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138626005
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
CID 162611429
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]oxane-4-carboxamide
CID 138597976
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-3-ethyloxetane-3-carboxamide
CID 138598020
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-4,4-difluorobutanamide
CID 138598035
N-[(1R,2R)-2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-5,5-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide
CID 138598199
4-chloro-N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]benzamide
CID 162611440
[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 137472531

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide?
The IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide (CID 138597928) is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)N[C@@H]1CCC(F)(F)C[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O.
What is the InChIKey of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide?
The InChIKey is FWLZYHQSGLRBCS-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H18F6N4O3/c1-19(23,24)18(32)27-12-4-5-20(25,26)7-13(12)30-8-10-3-2-9(6-11(10)17(30)31)15-28-29-16(33-15)14(21)22/h2-3,6,12-14H,4-5,7-8H2,1H3,(H,27,32)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide?
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide has a molecular weight of 476.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide is sourced from PubChem (CID 138597928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).