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

C15H21ClN4O — CID 166030872

IUPAC4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CNC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN4O/c1-19(2)15(21)13-4-3-10(5-14(13)16)18-11-8-20(9-11)12-6-17-7-12/h3-5,11-12,17-18H,6-9H2,1-2H3
InChIKeyMHEFQCLUTMVOSG-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.11
Rot. Bonds4

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

4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide (PubChem CID 166030872) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
PubChem CID166030872
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CNC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN4O/c1-19(2)15(21)13-4-3-10(5-14(13)16)18-11-8-20(9-11)12-6-17-7-12/h3-5,11-12,17-18H,6-9H2,1-2H3
InChIKeyMHEFQCLUTMVOSG-UHFFFAOYSA-N
XLogP1.11
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
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-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-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730
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-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166030992
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
CID 166030505
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-[[(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-[2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]azetidin-3-yl]amino]benzamide
CID 166030815

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide (CID 166030872) is 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC2CN(C3CNC3)C2)cc1Cl.
What is the InChIKey of 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is MHEFQCLUTMVOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-19(2)15(21)13-4-3-10(5-14(13)16)18-11-8-20(9-11)12-6-17-7-12/h3-5,11-12,17-18H,6-9H2,1-2H3.
What are the key properties of 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide?
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 308.81 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 166030872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).