4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide

C24H32FN3O3 — CID 97256092

IUPAC4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1
InChIInChI=1S/C24H32FN3O3/c1-16(2)20(26-21(29)17-5-7-18(25)8-6-17)23(31)28-13-9-24(10-14-28)15-19(24)22(30)27-11-3-4-12-27/h5-8,16,19-20H,3-4,9-15H2,1-2H3,(H,26,29)/t19-,20-/m1/s1
InChIKeyJCUBZQOWAFXNRG-WOJBJXKFSA-N
MW429.54 g/mol
LogP2.83
Rot. Bonds5

About 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide

4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide (PubChem CID 97256092) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide
PubChem CID97256092
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1
InChIInChI=1S/C24H32FN3O3/c1-16(2)20(26-21(29)17-5-7-18(25)8-6-17)23(31)28-13-9-24(10-14-28)15-19(24)22(30)27-11-3-4-12-27/h5-8,16,19-20H,3-4,9-15H2,1-2H3,(H,26,29)/t19-,20-/m1/s1
InChIKeyJCUBZQOWAFXNRG-WOJBJXKFSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

6-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174706
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251061
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
6-[2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174772
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
N-[1-(3-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide;hydrochloride
CID 119379031
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 87029912
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 46540265
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide (CID 97256092) is 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1.
What is the InChIKey of 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide?
The InChIKey is JCUBZQOWAFXNRG-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-16(2)20(26-21(29)17-5-7-18(25)8-6-17)23(31)28-13-9-24(10-14-28)15-19(24)22(30)27-11-3-4-12-27/h5-8,16,19-20H,3-4,9-15H2,1-2H3,(H,26,29)/t19-,20-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide?
4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-3-methyl-1-oxo-1-[(2S)-2-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]butan-2-yl]benzamide is sourced from PubChem (CID 97256092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).