5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C18H18FNO5 — CID 120822444

IUPAC5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1C(=O)O
InChIInChI=1S/C18H18FNO5/c1-2-14-12(18(22)23)9-16(25-14)17(21)20-10-6-7-15(13(19)8-10)24-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyMZAXVSCNODHPCG-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.86
Rot. Bonds6

About 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822444) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822444
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1C(=O)O
InChIInChI=1S/C18H18FNO5/c1-2-14-12(18(22)23)9-16(25-14)17(21)20-10-6-7-15(13(19)8-10)24-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21)(H,22,23)
InChIKeyMZAXVSCNODHPCG-UHFFFAOYSA-N
XLogP3.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821942
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822444) is 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1C(=O)O.
What is the InChIKey of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is MZAXVSCNODHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-2-14-12(18(22)23)9-16(25-14)17(21)20-10-6-7-15(13(19)8-10)24-11-4-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 347.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).