methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate

C14H16FNO4 — CID 103272807

IUPACmethyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(C(N)=O)c(F)c2)CCC1
InChIInChI=1S/C14H16FNO4/c1-19-12(17)8-14(5-2-6-14)20-9-3-4-10(13(16)18)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,16,18)
InChIKeySWMUTTDFWJCQGD-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate

methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate (PubChem CID 103272807) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate
PubChem CID103272807
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(C(N)=O)c(F)c2)CCC1
InChIInChI=1S/C14H16FNO4/c1-19-12(17)8-14(5-2-6-14)20-9-3-4-10(13(16)18)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,16,18)
InChIKeySWMUTTDFWJCQGD-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(3-chloro-4-fluorophenoxy)cyclobutyl]acetate
CID 103272581
methyl 2-[1-(2-bromo-4-chlorophenoxy)cyclobutyl]acetate
CID 103272407
methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
CID 103272729
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
methyl 2-[1-(2-chloro-5-nitrophenoxy)cyclobutyl]acetate
CID 103272752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate (CID 103272807) is methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate is COC(=O)CC1(Oc2ccc(C(N)=O)c(F)c2)CCC1.
What is the InChIKey of methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate?
The InChIKey is SWMUTTDFWJCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-19-12(17)8-14(5-2-6-14)20-9-3-4-10(13(16)18)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,16,18).
What are the key properties of methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate?
methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate has a molecular weight of 281.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-carbamoyl-3-fluorophenoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).