2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid

C13H17FN2O4 — CID 79463562

IUPAC2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(C(=O)NCCOCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O4/c1-2-16(11-5-3-10(14)4-6-11)13(19)15-7-8-20-9-12(17)18/h3-6H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyCBRCHANPQHIEBE-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463562) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463562
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(C(=O)NCCOCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O4/c1-2-16(11-5-3-10(14)4-6-11)13(19)15-7-8-20-9-12(17)18/h3-6H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyCBRCHANPQHIEBE-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048002
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463147
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
CID 113213383
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463562) is 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid is CCN(C(=O)NCCOCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is CBRCHANPQHIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-2-16(11-5-3-10(14)4-6-11)13(19)15-7-8-20-9-12(17)18/h3-6H,2,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).