[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate

C19H16Cl2N2O5 — CID 41250446

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
SMILESO=C(COC(=O)CCCn1c(=O)oc2ccccc21)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H16Cl2N2O5/c20-12-5-3-6-13(21)18(12)22-16(24)11-27-17(25)9-4-10-23-14-7-1-2-8-15(14)28-19(23)26/h1-3,5-8H,4,9-11H2,(H,22,24)
InChIKeyFWGIYUOEODBNHG-UHFFFAOYSA-N
MW423.25 g/mol
LogP3.86
Rot. Bonds7

About [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate

[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate (PubChem CID 41250446) has the molecular formula C19H16Cl2N2O5 and a molecular weight of 423.25 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
PubChem CID41250446
Molecular FormulaC19H16Cl2N2O5
Molecular Weight423.25 g/mol
Exact Mass422.04
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
SMILESO=C(COC(=O)CCCn1c(=O)oc2ccccc21)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H16Cl2N2O5/c20-12-5-3-6-13(21)18(12)22-16(24)11-27-17(25)9-4-10-23-14-7-1-2-8-15(14)28-19(23)26/h1-3,5-8H,4,9-11H2,(H,22,24)
InChIKeyFWGIYUOEODBNHG-UHFFFAOYSA-N
XLogP3.86
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate with MolForge

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41250658
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726210
[2-(4-bromoanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705615
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943
(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727468
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55310936
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55310892
[4-(trifluoromethyl)phenyl]methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55444882
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9380892
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8964923

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate (CID 41250446) is [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate is O=C(COC(=O)CCCn1c(=O)oc2ccccc21)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate?
The InChIKey is FWGIYUOEODBNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O5/c20-12-5-3-6-13(21)18(12)22-16(24)11-27-17(25)9-4-10-23-14-7-1-2-8-15(14)28-19(23)26/h1-3,5-8H,4,9-11H2,(H,22,24).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate has a molecular weight of 423.25 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate is sourced from PubChem (CID 41250446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).