4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide

C31H32F3N3O3 — CID 175663437

IUPAC4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCC3(CC2)CN(C(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)cc1
InChIInChI=1S/C31H32F3N3O3/c1-36(2)25-9-3-21(4-10-25)28(38)35-24-15-17-30(18-16-24)19-37(20-30)29(39)22-5-11-26(12-6-22)40-27-13-7-23(8-14-27)31(32,33)34/h3-14,24H,15-20H2,1-2H3,(H,35,38)
InChIKeyZISWNHLIUNITRF-UHFFFAOYSA-N
MW551.61 g/mol
LogP6.38
Rot. Bonds6

About 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide

4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide (PubChem CID 175663437) has the molecular formula C31H32F3N3O3 and a molecular weight of 551.61 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide
PubChem CID175663437
Molecular FormulaC31H32F3N3O3
Molecular Weight551.61 g/mol
Exact Mass551.24
IUPAC Name4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCC3(CC2)CN(C(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)cc1
InChIInChI=1S/C31H32F3N3O3/c1-36(2)25-9-3-21(4-10-25)28(38)35-24-15-17-30(18-16-24)19-37(20-30)29(39)22-5-11-26(12-6-22)40-27-13-7-23(8-14-27)31(32,33)34/h3-14,24H,15-20H2,1-2H3,(H,35,38)
InChIKeyZISWNHLIUNITRF-UHFFFAOYSA-N
XLogP6.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]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

[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
[(3aS,8aR)-2-[3-(dimethylamino)benzoyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-[4-[4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 171678188
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[2-(4,5-dimethoxy-2-methylbenzoyl)-2-azaspiro[3.5]nonan-7-yl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 171685284
2-methyl-2-[(5-methyl-2-pyridinyl)oxy]-1-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,6-diazaspiro[3.3]heptan-2-yl]propan-1-one
CID 171681310
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide (CID 175663437) is 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide is CN(C)c1ccc(C(=O)NC2CCC3(CC2)CN(C(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide?
The InChIKey is ZISWNHLIUNITRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O3/c1-36(2)25-9-3-21(4-10-25)28(38)35-24-15-17-30(18-16-24)19-37(20-30)29(39)22-5-11-26(12-6-22)40-27-13-7-23(8-14-27)31(32,33)34/h3-14,24H,15-20H2,1-2H3,(H,35,38).
What are the key properties of 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide?
4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide has a molecular weight of 551.61 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2-azaspiro[3.5]nonan-7-yl]benzamide is sourced from PubChem (CID 175663437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).