2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid

C17H16F2N2O3 — CID 9058461

IUPAC2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
SMILESCC/C(=N/Nc1ccc(F)cc1F)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H16F2N2O3/c1-2-15(20-21-16-8-5-12(18)9-14(16)19)11-3-6-13(7-4-11)24-10-17(22)23/h3-9,21H,2,10H2,1H3,(H,22,23)/b20-15-
InChIKeyKDGMKFKEALRGCJ-HKWRFOASSA-N
MW334.32 g/mol
LogP3.65
Rot. Bonds7

About 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid

2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid (PubChem CID 9058461) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
PubChem CID9058461
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
SMILESCC/C(=N/Nc1ccc(F)cc1F)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H16F2N2O3/c1-2-15(20-21-16-8-5-12(18)9-14(16)19)11-3-6-13(7-4-11)24-10-17(22)23/h3-9,21H,2,10H2,1H3,(H,22,23)/b20-15-
InChIKeyKDGMKFKEALRGCJ-HKWRFOASSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-N-(2-chloroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9070034
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid (CID 9058461) is 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid is CC/C(=N/Nc1ccc(F)cc1F)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid?
The InChIKey is KDGMKFKEALRGCJ-HKWRFOASSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-2-15(20-21-16-8-5-12(18)9-14(16)19)11-3-6-13(7-4-11)24-10-17(22)23/h3-9,21H,2,10H2,1H3,(H,22,23)/b20-15-.
What are the key properties of 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid?
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid has a molecular weight of 334.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 9058461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).