[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate

C19H17F4NO5 — CID 9200274

IUPAC[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1cc(CCNC(=O)COC(=O)c2ccc(F)cc2F)ccc1OC(F)F
InChIInChI=1S/C19H17F4NO5/c1-27-16-8-11(2-5-15(16)29-19(22)23)6-7-24-17(25)10-28-18(26)13-4-3-12(20)9-14(13)21/h2-5,8-9,19H,6-7,10H2,1H3,(H,24,25)
InChIKeyLUAPUPSAAYCUGI-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.09
Rot. Bonds9

About [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate

[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 9200274) has the molecular formula C19H17F4NO5 and a molecular weight of 415.34 g/mol. Its IUPAC name is [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID9200274
Molecular FormulaC19H17F4NO5
Molecular Weight415.34 g/mol
Exact Mass415.10
IUPAC Name[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1cc(CCNC(=O)COC(=O)c2ccc(F)cc2F)ccc1OC(F)F
InChIInChI=1S/C19H17F4NO5/c1-27-16-8-11(2-5-15(16)29-19(22)23)6-7-24-17(25)10-28-18(26)13-4-3-12(20)9-14(13)21/h2-5,8-9,19H,6-7,10H2,1H3,(H,24,25)
InChIKeyLUAPUPSAAYCUGI-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate 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-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490830
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013918
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199439
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341699
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607054
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 17424738

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate (CID 9200274) is [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate is COc1cc(CCNC(=O)COC(=O)c2ccc(F)cc2F)ccc1OC(F)F.
What is the InChIKey of [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is LUAPUPSAAYCUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO5/c1-27-16-8-11(2-5-15(16)29-19(22)23)6-7-24-17(25)10-28-18(26)13-4-3-12(20)9-14(13)21/h2-5,8-9,19H,6-7,10H2,1H3,(H,24,25).
What are the key properties of [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate?
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 415.34 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 9200274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).