2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid

C14H19FN2O4 — CID 63692374

IUPAC2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCOCCN(CC)C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-3-17(7-8-21-4-2)14(20)16-12-9-10(15)5-6-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLOKNOZYCEUBILQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.41
Rot. Bonds7

About 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid

2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid (PubChem CID 63692374) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
PubChem CID63692374
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCOCCN(CC)C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-3-17(7-8-21-4-2)14(20)16-12-9-10(15)5-6-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLOKNOZYCEUBILQ-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.41
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

4-bromo-2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63692734
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
2-(4-ethoxybutanoylamino)-4-fluorobenzoic acid
CID 78980396
2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63691124
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
4-fluoro-2-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62994916
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81037873
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-fluorobenzoic acid
CID 61199192
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid (CID 63692374) is 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid is CCOCCN(CC)C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
The InChIKey is LOKNOZYCEUBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-3-17(7-8-21-4-2)14(20)16-12-9-10(15)5-6-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid?
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid is sourced from PubChem (CID 63692374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).