ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate

C18H18F2N2O5 — CID 150191045

IUPACethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)cc1
InChIInChI=1S/C18H18F2N2O5/c1-2-26-18(25)11-3-5-12(6-4-11)21-16-13(7-8-14(19)15(16)20)17(24)22-27-10-9-23/h3-8,21,23H,2,9-10H2,1H3,(H,22,24)
InChIKeyFNLFYDAYAOZGOK-UHFFFAOYSA-N
MW380.35 g/mol
LogP2.54
Rot. Bonds8

About ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate

ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate (PubChem CID 150191045) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate
PubChem CID150191045
Molecular FormulaC18H18F2N2O5
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC Nameethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)cc1
InChIInChI=1S/C18H18F2N2O5/c1-2-26-18(25)11-3-5-12(6-4-11)21-16-13(7-8-14(19)15(16)20)17(24)22-27-10-9-23/h3-8,21,23H,2,9-10H2,1H3,(H,22,24)
InChIKeyFNLFYDAYAOZGOK-UHFFFAOYSA-N
XLogP2.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-2-[2-fluoro-4-(methylsulfanylmethyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504105
3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 10216123
3,4-difluoro-2-[2-fluoro-4-[(2S)-2-methylbutyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 87923083
ethyl 4-(2,5-difluoroanilino)benzoate
CID 82535791
3,4-difluoro-2-[2-fluoro-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504099
6-(4-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3H-benzimidazole-5-carboxamide
CID 91194605
3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 142266276
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
ethyl 4-[[6-[(3,4-difluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113050458
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate?
The IUPAC name of ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate (CID 150191045) is ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate.
What is the SMILES notation for ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate?
The canonical SMILES for ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate is CCOC(=O)c1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)cc1.
What is the InChIKey of ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate?
The InChIKey is FNLFYDAYAOZGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c1-2-26-18(25)11-3-5-12(6-4-11)21-16-13(7-8-14(19)15(16)20)17(24)22-27-10-9-23/h3-8,21,23H,2,9-10H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate?
ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate has a molecular weight of 380.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate is sourced from PubChem (CID 150191045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).