4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide

C12H16FN3O — CID 166030505

IUPAC4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CNC2)cc1F
InChIInChI=1S/C12H16FN3O/c1-16(2)12(17)10-4-3-8(5-11(10)13)15-9-6-14-7-9/h3-5,9,14-15H,6-7H2,1-2H3
InChIKeyZNAJEZAREZDTHZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.91
Rot. Bonds3

About 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide

4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide (PubChem CID 166030505) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
PubChem CID166030505
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CNC2)cc1F
InChIInChI=1S/C12H16FN3O/c1-16(2)12(17)10-4-3-8(5-11(10)13)15-9-6-14-7-9/h3-5,9,14-15H,6-7H2,1-2H3
InChIKeyZNAJEZAREZDTHZ-UHFFFAOYSA-N
XLogP0.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
4-(azetidin-3-ylamino)-2-methylbenzamide
CID 81279115
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746
4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 113319767
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide (CID 166030505) is 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC2CNC2)cc1F.
What is the InChIKey of 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is ZNAJEZAREZDTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16(2)12(17)10-4-3-8(5-11(10)13)15-9-6-14-7-9/h3-5,9,14-15H,6-7H2,1-2H3.
What are the key properties of 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide?
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 237.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 166030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).