methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate

C19H20FNO4 — CID 71897404

IUPACmethyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C2(c3cccc(F)c3)CCC2)oc1C
InChIInChI=1S/C19H20FNO4/c1-12-16(17(22)24-2)10-15(25-12)11-21-18(23)19(7-4-8-19)13-5-3-6-14(20)9-13/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,21,23)
InChIKeyBSLDFVYVUKLESR-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.25
Rot. Bonds5

About methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 71897404) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID71897404
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Namemethyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C2(c3cccc(F)c3)CCC2)oc1C
InChIInChI=1S/C19H20FNO4/c1-12-16(17(22)24-2)10-15(25-12)11-21-18(23)19(7-4-8-19)13-5-3-6-14(20)9-13/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,21,23)
InChIKeyBSLDFVYVUKLESR-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226939
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 71897404) is methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)C2(c3cccc(F)c3)CCC2)oc1C.
What is the InChIKey of methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is BSLDFVYVUKLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12-16(17(22)24-2)10-15(25-12)11-21-18(23)19(7-4-8-19)13-5-3-6-14(20)9-13/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 71897404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).