N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide

C20H25Cl2F2N3O2 — CID 129134845

IUPACN-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NC(=O)CN1CCC2(CC2NC(=O)c2cc(Cl)cc(Cl)c2)C(F)(F)C1
InChIInChI=1S/C20H25Cl2F2N3O2/c1-18(2,3)26-16(28)10-27-5-4-19(20(23,24)11-27)9-15(19)25-17(29)12-6-13(21)8-14(22)7-12/h6-8,15H,4-5,9-11H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyJHXAXACRMXTILL-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.74
Rot. Bonds4

About N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide

N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide (PubChem CID 129134845) has the molecular formula C20H25Cl2F2N3O2 and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide
PubChem CID129134845
Molecular FormulaC20H25Cl2F2N3O2
Molecular Weight448.34 g/mol
Exact Mass447.13
IUPAC NameN-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NC(=O)CN1CCC2(CC2NC(=O)c2cc(Cl)cc(Cl)c2)C(F)(F)C1
InChIInChI=1S/C20H25Cl2F2N3O2/c1-18(2,3)26-16(28)10-27-5-4-19(20(23,24)11-27)9-15(19)25-17(29)12-6-13(21)8-14(22)7-12/h6-8,15H,4-5,9-11H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyJHXAXACRMXTILL-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide with MolForge

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Related Compounds

3,5-dichloro-N-[[4-fluoro-1-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 59455789
3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide
CID 59455776
3-chloro-N-[[1-[2-(2-cyclopropylpropan-2-ylamino)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]-5-methylbenzamide
CID 70857490
N-[[1-[2-(tert-butylamino)-2-oxoethyl]-2,2,6,6-tetradeuteriopiperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
CID 170676046
3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide
CID 59455790
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 163999803
3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116136
N-tert-butyl-2-(2-methyl-6-azaspiro[2.5]octan-6-yl)acetamide
CID 146383586
N-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octane-2-carboxamide;ethane
CID 145310257
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 170152750
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide?
The IUPAC name of N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide (CID 129134845) is N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide is CC(C)(C)NC(=O)CN1CCC2(CC2NC(=O)c2cc(Cl)cc(Cl)c2)C(F)(F)C1.
What is the InChIKey of N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide?
The InChIKey is JHXAXACRMXTILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2F2N3O2/c1-18(2,3)26-16(28)10-27-5-4-19(20(23,24)11-27)9-15(19)25-17(29)12-6-13(21)8-14(22)7-12/h6-8,15H,4-5,9-11H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide?
N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide has a molecular weight of 448.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide is sourced from PubChem (CID 129134845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).