[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate

C17H13F2NO5 — CID 2515672

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyLBDXLDMTCUINMM-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.55
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 2515672) has the molecular formula C17H13F2NO5 and a molecular weight of 349.29 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID2515672
Molecular FormulaC17H13F2NO5
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2NO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyLBDXLDMTCUINMM-UHFFFAOYSA-N
XLogP2.55
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515349

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate (CID 2515672) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1c(F)cccc1F.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is LBDXLDMTCUINMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO5/c1-24-16(22)10-5-2-3-8-13(10)20-14(21)9-25-17(23)15-11(18)6-4-7-12(15)19/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate has a molecular weight of 349.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 2515672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).