[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C21H23FN2O6 — CID 8572691

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1OCC
InChIInChI=1S/C21H23FN2O6/c1-3-11-29-17-10-9-14(12-18(17)28-4-2)20(26)30-13-19(25)24-21(27)23-16-8-6-5-7-15(16)22/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyCLPZPFGRVNZULE-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.52
Rot. Bonds9

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 8572691) has the molecular formula C21H23FN2O6 and a molecular weight of 418.42 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID8572691
Molecular FormulaC21H23FN2O6
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1OCC
InChIInChI=1S/C21H23FN2O6/c1-3-11-29-17-10-9-14(12-18(17)28-4-2)20(26)30-13-19(25)24-21(27)23-16-8-6-5-7-15(16)22/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyCLPZPFGRVNZULE-UHFFFAOYSA-N
XLogP3.52
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 29242975
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7908854
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7720946
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 29394084

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 8572691) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1OCC.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is CLPZPFGRVNZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O6/c1-3-11-29-17-10-9-14(12-18(17)28-4-2)20(26)30-13-19(25)24-21(27)23-16-8-6-5-7-15(16)22/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,24,25,27).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 418.42 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 8572691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).