N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide

C20H24F2N2O2 — CID 171631173

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
SMILESCC(NC(=O)c1ccc(C2CC2(F)F)cc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H24F2N2O2/c1-13(18(26)24-10-8-19(6-7-19)9-11-24)23-17(25)15-4-2-14(3-5-15)16-12-20(16,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,25)
InChIKeyLCDIQNRMMHQQSL-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide (PubChem CID 171631173) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
PubChem CID171631173
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
SMILESCC(NC(=O)c1ccc(C2CC2(F)F)cc1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H24F2N2O2/c1-13(18(26)24-10-8-19(6-7-19)9-11-24)23-17(25)15-4-2-14(3-5-15)16-12-20(16,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,25)
InChIKeyLCDIQNRMMHQQSL-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 171631157
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
CID 171631253
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-cyanopyrazol-1-yl)pyridine-3-carboxamide
CID 171631581

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide (CID 171631173) is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide is CC(NC(=O)c1ccc(C2CC2(F)F)cc1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide?
The InChIKey is LCDIQNRMMHQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-13(18(26)24-10-8-19(6-7-19)9-11-24)23-17(25)15-4-2-14(3-5-15)16-12-20(16,21)22/h2-5,13,16H,6-12H2,1H3,(H,23,25).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide has a molecular weight of 362.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide is sourced from PubChem (CID 171631173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).