5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide

C18H25F3N4O — CID 67978811

IUPAC5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCNc1cc(N2CCC3(CC2)CC3)c(C(=O)NCCC(F)(F)F)cc1N
InChIInChI=1S/C18H25F3N4O/c1-23-14-11-15(25-8-5-17(2-3-17)6-9-25)12(10-13(14)22)16(26)24-7-4-18(19,20)21/h10-11,23H,2-9,22H2,1H3,(H,24,26)
InChIKeyBSKBVWYWUPODQF-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.37
Rot. Bonds5

About 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide

5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 67978811) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID67978811
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCNc1cc(N2CCC3(CC2)CC3)c(C(=O)NCCC(F)(F)F)cc1N
InChIInChI=1S/C18H25F3N4O/c1-23-14-11-15(25-8-5-17(2-3-17)6-9-25)12(10-13(14)22)16(26)24-7-4-18(19,20)21/h10-11,23H,2-9,22H2,1H3,(H,24,26)
InChIKeyBSKBVWYWUPODQF-UHFFFAOYSA-N
XLogP3.37
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(methylamino)-2-[4-(trifluoromethyl)piperidin-1-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 86666490
5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 67978849
5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
CID 123494767
5-amino-4-(methylamino)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978893
5-amino-4-(2,2-difluoroethylamino)-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 88539240
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
CID 67978209
ethyl 5-amino-2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(methylamino)benzoate
CID 67978085
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide (CID 67978811) is 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide is CNc1cc(N2CCC3(CC2)CC3)c(C(=O)NCCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is BSKBVWYWUPODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-23-14-11-15(25-8-5-17(2-3-17)6-9-25)12(10-13(14)22)16(26)24-7-4-18(19,20)21/h10-11,23H,2-9,22H2,1H3,(H,24,26).
What are the key properties of 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide?
5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 67978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).