[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate

C17H12Cl2FNO5 — CID 8649189

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FNO5/c1-25-16(23)9-4-2-3-5-14(9)21-15(22)8-26-17(24)10-6-13(20)12(19)7-11(10)18/h2-7H,8H2,1H3,(H,21,22)
InChIKeySVLIZXHYMKJXTD-UHFFFAOYSA-N
MW400.19 g/mol
LogP3.71
Rot. Bonds5

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate (PubChem CID 8649189) has the molecular formula C17H12Cl2FNO5 and a molecular weight of 400.19 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
PubChem CID8649189
Molecular FormulaC17H12Cl2FNO5
Molecular Weight400.19 g/mol
Exact Mass399.01
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FNO5/c1-25-16(23)9-4-2-3-5-14(9)21-15(22)8-26-17(24)10-6-13(20)12(19)7-11(10)18/h2-7H,8H2,1H3,(H,21,22)
InChIKeySVLIZXHYMKJXTD-UHFFFAOYSA-N
XLogP3.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809950
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649135
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-(2-cyanoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382609
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542838
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649155
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 29434502

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate (CID 8649189) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
The InChIKey is SVLIZXHYMKJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO5/c1-25-16(23)9-4-2-3-5-14(9)21-15(22)8-26-17(24)10-6-13(20)12(19)7-11(10)18/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate has a molecular weight of 400.19 g/mol, XLogP of 3.71, 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] 2,4-dichloro-5-fluorobenzoate is sourced from PubChem (CID 8649189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).