[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

C16H13F2NO5 — CID 18075540

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1O
InChIInChI=1S/C16H13F2NO5/c1-23-13-4-2-3-10(15(13)21)16(22)24-8-14(20)19-9-5-6-11(17)12(18)7-9/h2-7,21H,8H2,1H3,(H,19,20)
InChIKeyISVPOJKFTHYLQY-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.47
Rot. Bonds5

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075540) has the molecular formula C16H13F2NO5 and a molecular weight of 337.28 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075540
Molecular FormulaC16H13F2NO5
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1O
InChIInChI=1S/C16H13F2NO5/c1-23-13-4-2-3-10(15(13)21)16(22)24-8-14(20)19-9-5-6-11(17)12(18)7-9/h2-7,21H,8H2,1H3,(H,19,20)
InChIKeyISVPOJKFTHYLQY-UHFFFAOYSA-N
XLogP2.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate 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

[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-hydroxy-3-methoxybenzoate
CID 24687138
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
CID 24692855
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326292
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110416
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2565957
[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18099716

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (CID 18075540) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1O.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is ISVPOJKFTHYLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO5/c1-23-13-4-2-3-10(15(13)21)16(22)24-8-14(20)19-9-5-6-11(17)12(18)7-9/h2-7,21H,8H2,1H3,(H,19,20).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 337.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).