4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide

C15H19F2N3O — CID 164823975

IUPAC4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3(CCNC3)C2)c(F)c1F
InChIInChI=1S/C15H19F2N3O/c1-18-14(21)10-2-3-11(13(17)12(10)16)20-9-6-15(7-9)4-5-19-8-15/h2-3,9,19-20H,4-8H2,1H3,(H,18,21)
InChIKeyRUVUEWGGDMPAFK-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.88
Rot. Bonds3

About 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide

4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide (PubChem CID 164823975) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
PubChem CID164823975
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3(CCNC3)C2)c(F)c1F
InChIInChI=1S/C15H19F2N3O/c1-18-14(21)10-2-3-11(13(17)12(10)16)20-9-6-15(7-9)4-5-19-8-15/h2-3,9,19-20H,4-8H2,1H3,(H,18,21)
InChIKeyRUVUEWGGDMPAFK-UHFFFAOYSA-N
XLogP1.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide?
The IUPAC name of 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide (CID 164823975) is 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide is CNC(=O)c1ccc(NC2CC3(CCNC3)C2)c(F)c1F.
What is the InChIKey of 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide?
The InChIKey is RUVUEWGGDMPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-18-14(21)10-2-3-11(13(17)12(10)16)20-9-6-15(7-9)4-5-19-8-15/h2-3,9,19-20H,4-8H2,1H3,(H,18,21).
What are the key properties of 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide?
4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide has a molecular weight of 295.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 164823975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).