2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H16FNO2 — CID 80710754

IUPAC2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2(C)COC2)c1F
InChIInChI=1S/C13H16FNO2/c1-9-4-3-5-10(11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyMOKITAXMALHHLD-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.90
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 80710754) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID80710754
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2(C)COC2)c1F
InChIInChI=1S/C13H16FNO2/c1-9-4-3-5-10(11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyMOKITAXMALHHLD-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 86284423
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956982
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 80710754) is 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is Cc1cccc(C(=O)NCC2(C)COC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is MOKITAXMALHHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-4-3-5-10(11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 237.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 80710754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).