2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide

C24H29ClN4O3 — CID 166085122

IUPAC2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C(O)c4ccccc4)C3)C2)cc1Cl
InChIInChI=1S/C24H29ClN4O3/c1-27(2)23(31)20-9-8-17(12-21(20)25)26-18-13-29(14-18)19-10-11-28(15-19)24(32)22(30)16-6-4-3-5-7-16/h3-9,12,18-19,22,26,30H,10-11,13-15H2,1-2H3
InChIKeyQZAHCCQPUJLTMJ-UHFFFAOYSA-N
MW456.97 g/mol
LogP2.47
Rot. Bonds6

About 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide

2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide (PubChem CID 166085122) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
PubChem CID166085122
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C(O)c4ccccc4)C3)C2)cc1Cl
InChIInChI=1S/C24H29ClN4O3/c1-27(2)23(31)20-9-8-17(12-21(20)25)26-18-13-29(14-18)19-10-11-28(15-19)24(32)22(30)16-6-4-3-5-7-16/h3-9,12,18-19,22,26,30H,10-11,13-15H2,1-2H3
InChIKeyQZAHCCQPUJLTMJ-UHFFFAOYSA-N
XLogP2.47
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide 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
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
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-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
CID 166030737
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-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166030992
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
tert-butyl 6-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]azetidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166030591
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
1-[4-[3-[3-chloro-4-(3-methylazetidine-1-carbonyl)anilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 167695461
(2S)-1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one;sulfane
CID 167549708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide (CID 166085122) is 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC2CN(C3CCN(C(=O)C(O)c4ccccc4)C3)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is QZAHCCQPUJLTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-27(2)23(31)20-9-8-17(12-21(20)25)26-18-13-29(14-18)19-10-11-28(15-19)24(32)22(30)16-6-4-3-5-7-16/h3-9,12,18-19,22,26,30H,10-11,13-15H2,1-2H3.
What are the key properties of 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 456.97 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 166085122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).