[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C17H15FN2O5 — CID 7791695

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O5/c18-12-3-7-14(8-4-12)24-10-16(22)25-9-15(21)20-13-5-1-11(2-6-13)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,21)
InChIKeyQISAEQOAQSQPKF-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.49
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791695) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791695
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O5/c18-12-3-7-14(8-4-12)24-10-16(22)25-9-15(21)20-13-5-1-11(2-6-13)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,21)
InChIKeyQISAEQOAQSQPKF-UHFFFAOYSA-N
XLogP1.49
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 38906195
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791695) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is NC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is QISAEQOAQSQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c18-12-3-7-14(8-4-12)24-10-16(22)25-9-15(21)20-13-5-1-11(2-6-13)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 346.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).