N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide

C20H20F2N4O4 — CID 138598254

IUPACN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide
SMILESCCC(=O)N[C@@H]1CCCC[C@H]1N1C(=O)c2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C20H20F2N4O4/c1-2-15(27)23-13-5-3-4-6-14(13)26-19(28)11-8-7-10(9-12(11)20(26)29)17-24-25-18(30-17)16(21)22/h7-9,13-14,16H,2-6H2,1H3,(H,23,27)/t13-,14-/m1/s1
InChIKeyJILAMAKNVZFCHJ-ZIAGYGMSSA-N
MW418.40 g/mol
LogP3.11
Rot. Bonds5

About N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide (PubChem CID 138598254) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide
PubChem CID138598254
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide
SMILESCCC(=O)N[C@@H]1CCCC[C@H]1N1C(=O)c2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C20H20F2N4O4/c1-2-15(27)23-13-5-3-4-6-14(13)26-19(28)11-8-7-10(9-12(11)20(26)29)17-24-25-18(30-17)16(21)22/h7-9,13-14,16H,2-6H2,1H3,(H,23,27)/t13-,14-/m1/s1
InChIKeyJILAMAKNVZFCHJ-ZIAGYGMSSA-N
XLogP3.11
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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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]cyclohexyl]-4,4-difluorobutanamide
CID 138598035
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]-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]cyclohexanecarboxamide
CID 162611429
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
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
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
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
[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 138597810
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
N-[(1R,2R)-2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2,2,3,3,3-pentafluoropropanamide
CID 137472644

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide?
The IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide (CID 138598254) is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide is CCC(=O)N[C@@H]1CCCC[C@H]1N1C(=O)c2ccc(-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]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide?
The InChIKey is JILAMAKNVZFCHJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-2-15(27)23-13-5-3-4-6-14(13)26-19(28)11-8-7-10(9-12(11)20(26)29)17-24-25-18(30-17)16(21)22/h7-9,13-14,16H,2-6H2,1H3,(H,23,27)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide?
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide has a molecular weight of 418.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,3-dioxoisoindol-2-yl]cyclohexyl]propanamide is sourced from PubChem (CID 138598254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).