N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide

C12H15FN2O2 — CID 81284942

IUPACN-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CNC2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-15(9-6-14-7-9)12(16)8-3-4-10(13)11(5-8)17-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyJIPLHNZENFZVPM-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.88
Rot. Bonds3

About N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide

N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide (PubChem CID 81284942) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
PubChem CID81284942
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CNC2)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-15(9-6-14-7-9)12(16)8-3-4-10(13)11(5-8)17-2/h3-5,9,14H,6-7H2,1-2H3
InChIKeyJIPLHNZENFZVPM-UHFFFAOYSA-N
XLogP0.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
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N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
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CID 79118265

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide (CID 81284942) is N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)C2CNC2)ccc1F.
What is the InChIKey of N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The InChIKey is JIPLHNZENFZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-15(9-6-14-7-9)12(16)8-3-4-10(13)11(5-8)17-2/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide has a molecular weight of 238.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 81284942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).