[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate

C19H17ClFNO5 — CID 7820383

IUPAC[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H17ClFNO5/c1-11(2)27-18(24)12-6-8-13(9-7-12)22-16(23)10-26-19(25)17-14(20)4-3-5-15(17)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyGDEYSTJSTGQFJQ-UHFFFAOYSA-N
MW393.80 g/mol
LogP3.84
Rot. Bonds6

About [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate (PubChem CID 7820383) has the molecular formula C19H17ClFNO5 and a molecular weight of 393.80 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
PubChem CID7820383
Molecular FormulaC19H17ClFNO5
Molecular Weight393.80 g/mol
Exact Mass393.08
IUPAC Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H17ClFNO5/c1-11(2)27-18(24)12-6-8-13(9-7-12)22-16(23)10-26-19(25)17-14(20)4-3-5-15(17)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyGDEYSTJSTGQFJQ-UHFFFAOYSA-N
XLogP3.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 2501169
[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007300
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloro-6-fluorobenzoate
CID 9414905
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2388592
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820428
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820806

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate (CID 7820383) is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate is CC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is GDEYSTJSTGQFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO5/c1-11(2)27-18(24)12-6-8-13(9-7-12)22-16(23)10-26-19(25)17-14(20)4-3-5-15(17)21/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate?
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 393.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).