N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

C24H25FN2O2 — CID 45495284

IUPACN-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESO=C(NC1CC1)C1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2
InChIInChI=1S/C24H25FN2O2/c25-19-10-4-5-11-20(19)27-23(29)18-9-3-2-8-17(18)21(22(28)26-16-12-13-16)24(27)14-6-1-7-15-24/h2-5,8-11,16,21H,1,6-7,12-15H2,(H,26,28)
InChIKeySOIOWUZAPSHFQC-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.55
Rot. Bonds3

About N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (PubChem CID 45495284) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
PubChem CID45495284
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESO=C(NC1CC1)C1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2
InChIInChI=1S/C24H25FN2O2/c25-19-10-4-5-11-20(19)27-23(29)18-9-3-2-8-17(18)21(22(28)26-16-12-13-16)24(27)14-6-1-7-15-24/h2-5,8-11,16,21H,1,6-7,12-15H2,(H,26,28)
InChIKeySOIOWUZAPSHFQC-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (CID 45495284) is N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is O=C(NC1CC1)C1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2.
What is the InChIKey of N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The InChIKey is SOIOWUZAPSHFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-19-10-4-5-11-20(19)27-23(29)18-9-3-2-8-17(18)21(22(28)26-16-12-13-16)24(27)14-6-1-7-15-24/h2-5,8-11,16,21H,1,6-7,12-15H2,(H,26,28).
What are the key properties of N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluorophenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is sourced from PubChem (CID 45495284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).