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

C19H18F4N4O3 — CID 137463530

IUPACN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C(F)F
InChIInChI=1S/C19H18F4N4O3/c20-14(21)16(28)24-12-3-1-2-4-13(12)27-8-10-6-5-9(7-11(10)19(27)29)17-25-26-18(30-17)15(22)23/h5-7,12-15H,1-4,8H2,(H,24,28)/t12-,13-/m1/s1
InChIKeyPDSAMIUEDRPMOW-CHWSQXEVSA-N
MW426.37 g/mol
LogP3.32
Rot. Bonds5

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

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide (PubChem CID 137463530) has the molecular formula C19H18F4N4O3 and a molecular weight of 426.37 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]cyclohexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide
PubChem CID137463530
Molecular FormulaC19H18F4N4O3
Molecular Weight426.37 g/mol
Exact Mass426.13
IUPAC NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C(F)F
InChIInChI=1S/C19H18F4N4O3/c20-14(21)16(28)24-12-3-1-2-4-13(12)27-8-10-6-5-9(7-11(10)19(27)29)17-25-26-18(30-17)15(22)23/h5-7,12-15H,1-4,8H2,(H,24,28)/t12-,13-/m1/s1
InChIKeyPDSAMIUEDRPMOW-CHWSQXEVSA-N
XLogP3.32
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.32
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]cyclohexyl]-2,2-difluoroacetamide with MolForge

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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]cyclohexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide (CID 137463530) is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide.
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]cyclohexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide is O=C(N[C@@H]1CCCC[C@H]1N1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O)C(F)F.
What is the InChIKey of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide?
The InChIKey is PDSAMIUEDRPMOW-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H18F4N4O3/c20-14(21)16(28)24-12-3-1-2-4-13(12)27-8-10-6-5-9(7-11(10)19(27)29)17-25-26-18(30-17)15(22)23/h5-7,12-15H,1-4,8H2,(H,24,28)/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]cyclohexyl]-2,2-difluoroacetamide?
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2-difluoroacetamide has a molecular weight of 426.37 g/mol, XLogP of 3.32, 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]cyclohexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 137463530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).