ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate

C16H20FNO4 — CID 175249459

IUPACethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(NC2(C(=O)OCC)CCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-3-21-14(19)12-7-6-11(10-13(12)17)18-16(8-5-9-16)15(20)22-4-2/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyMPZFIHKYZSLJKJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.90
Rot. Bonds6

About ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate

ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate (PubChem CID 175249459) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
PubChem CID175249459
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nameethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(NC2(C(=O)OCC)CCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-3-21-14(19)12-7-6-11(10-13(12)17)18-16(8-5-9-16)15(20)22-4-2/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyMPZFIHKYZSLJKJ-UHFFFAOYSA-N
XLogP2.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate?
The IUPAC name of ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate (CID 175249459) is ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate.
What is the SMILES notation for ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate?
The canonical SMILES for ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate is CCOC(=O)c1ccc(NC2(C(=O)OCC)CCC2)cc1F.
What is the InChIKey of ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate?
The InChIKey is MPZFIHKYZSLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-3-21-14(19)12-7-6-11(10-13(12)17)18-16(8-5-9-16)15(20)22-4-2/h6-7,10,18H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate?
ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate has a molecular weight of 309.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate is sourced from PubChem (CID 175249459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).