ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate

C18H18FNO4 — CID 58370161

IUPACethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)CCC1
InChIInChI=1S/C18H18FNO4/c1-2-24-17(23)18(8-5-9-18)20-16(22)13-10-14(19)11-6-3-4-7-12(11)15(13)21/h3-4,6-7,10,21H,2,5,8-9H2,1H3,(H,20,22)
InChIKeyPGCMQYVRFSIZGW-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.90
Rot. Bonds4

About ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate

ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate (PubChem CID 58370161) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate
PubChem CID58370161
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Nameethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)CCC1
InChIInChI=1S/C18H18FNO4/c1-2-24-17(23)18(8-5-9-18)20-16(22)13-10-14(19)11-6-3-4-7-12(11)15(13)21/h3-4,6-7,10,21H,2,5,8-9H2,1H3,(H,20,22)
InChIKeyPGCMQYVRFSIZGW-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate (CID 58370161) is ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)CCC1.
What is the InChIKey of ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate?
The InChIKey is PGCMQYVRFSIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-2-24-17(23)18(8-5-9-18)20-16(22)13-10-14(19)11-6-3-4-7-12(11)15(13)21/h3-4,6-7,10,21H,2,5,8-9H2,1H3,(H,20,22).
What are the key properties of ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate?
ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate has a molecular weight of 331.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 58370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).