3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide

C15H21FN2O3 — CID 126441973

IUPAC3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
SMILESCC[C@H](COC)NC(=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O3/c1-3-11(10-20-2)17-15(19)18-8-12(9-18)21-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZRISITKJZUYGEI-LLVKDONJSA-N
MW296.34 g/mol
LogP2.02
Rot. Bonds6

About 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide

3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide (PubChem CID 126441973) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
PubChem CID126441973
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
SMILESCC[C@H](COC)NC(=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O3/c1-3-11(10-20-2)17-15(19)18-8-12(9-18)21-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZRISITKJZUYGEI-LLVKDONJSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 126438416
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616284
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034
(2R)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-(2-methylpropyl)propanamide
CID 125169498
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
CID 118792922
3-(2-methoxyphenoxy)-N-(2-piperidin-1-ylbutyl)azetidine-1-carboxamide
CID 122564976
3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
CID 125442303
(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
CID 124757769
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[3-(2-fluorophenoxy)azetidin-1-yl]butan-1-one
CID 90651927

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide (CID 126441973) is 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide is CC[C@H](COC)NC(=O)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide?
The InChIKey is ZRISITKJZUYGEI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-11(10-20-2)17-15(19)18-8-12(9-18)21-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide?
3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 126441973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).