N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide

C12H14F2N2O — CID 113396529

IUPACN-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CNC2)c(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-3-9(11(14)4-10(7)13)12(17)16(2)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyZCNRFFVUIFFXGG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.32
Rot. Bonds2

About N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide

N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide (PubChem CID 113396529) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
PubChem CID113396529
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CNC2)c(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-3-9(11(14)4-10(7)13)12(17)16(2)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyZCNRFFVUIFFXGG-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
CID 113396470
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 117045024
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide (CID 113396529) is N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide is Cc1cc(C(=O)N(C)C2CNC2)c(F)cc1F.
What is the InChIKey of N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide?
The InChIKey is ZCNRFFVUIFFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-3-9(11(14)4-10(7)13)12(17)16(2)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide?
N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide has a molecular weight of 240.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 113396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).