2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide

C24H32ClF3N4O2 — CID 166030737

IUPAC2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C4(C(F)(F)F)CCCC4)CC3)C2)cc1Cl
InChIInChI=1S/C24H32ClF3N4O2/c1-30(2)21(33)19-6-5-16(13-20(19)25)29-17-14-32(15-17)18-7-11-31(12-8-18)22(34)23(24(26,27)28)9-3-4-10-23/h5-6,13,17-18,29H,3-4,7-12,14-15H2,1-2H3
InChIKeyOZMWNZKPUVWFCL-UHFFFAOYSA-N
MW500.99 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide

2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide (PubChem CID 166030737) has the molecular formula C24H32ClF3N4O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
PubChem CID166030737
Molecular FormulaC24H32ClF3N4O2
Molecular Weight500.99 g/mol
Exact Mass500.22
IUPAC Name2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C4(C(F)(F)F)CCCC4)CC3)C2)cc1Cl
InChIInChI=1S/C24H32ClF3N4O2/c1-30(2)21(33)19-6-5-16(13-20(19)25)29-17-14-32(15-17)18-7-11-31(12-8-18)22(34)23(24(26,27)28)9-3-4-10-23/h5-6,13,17-18,29H,3-4,7-12,14-15H2,1-2H3
InChIKeyOZMWNZKPUVWFCL-UHFFFAOYSA-N
XLogP4.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]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

2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2,3-dimethylbutanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide;sulfane
CID 167587543
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-4-[[(3S)-1-[1-(2-hydroxy-2,3-dimethylbutanoyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-N,N-dimethylbenzamide
CID 167549746
2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 167619136
2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166085122
tert-butyl 6-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]azetidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166030591
2-chloro-N,N-dimethyl-4-[[1-[2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]azetidin-3-yl]amino]benzamide
CID 166030815
2-chloro-N-methyl-N-(4,4,4-trifluorobutyl)-4-[[1-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
CID 166030912
2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166030992
1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-sulfanylethanone
CID 166085270
2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide (CID 166030737) is 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide is CN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C4(C(F)(F)F)CCCC4)CC3)C2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide?
The InChIKey is OZMWNZKPUVWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClF3N4O2/c1-30(2)21(33)19-6-5-16(13-20(19)25)29-17-14-32(15-17)18-7-11-31(12-8-18)22(34)23(24(26,27)28)9-3-4-10-23/h5-6,13,17-18,29H,3-4,7-12,14-15H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide?
2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide has a molecular weight of 500.99 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide is sourced from PubChem (CID 166030737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).