N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide

C15H17FN2O2 — CID 95333207

IUPACN-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1c([C@H](C)NC(=O)N2CCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O2/c1-9-12-8-11(16)4-5-13(12)20-14(9)10(2)17-15(19)18-6-3-7-18/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyQLMKOJSYXLIDQX-JTQLQIEISA-N
MW276.31 g/mol
LogP3.36
Rot. Bonds2

About N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide

N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide (PubChem CID 95333207) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
PubChem CID95333207
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1c([C@H](C)NC(=O)N2CCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O2/c1-9-12-8-11(16)4-5-13(12)20-14(9)10(2)17-15(19)18-6-3-7-18/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyQLMKOJSYXLIDQX-JTQLQIEISA-N
XLogP3.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438593
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86880098
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 86881077
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537749
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86880113
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 86878186
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505700
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 86878943
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
methyl 3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]piperidine-1-carboxylate
CID 166533023

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide (CID 95333207) is N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide is Cc1c([C@H](C)NC(=O)N2CCC2)oc2ccc(F)cc12.
What is the InChIKey of N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is QLMKOJSYXLIDQX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-12-8-11(16)4-5-13(12)20-14(9)10(2)17-15(19)18-6-3-7-18/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide?
N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 95333207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).