[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate

C19H19Cl2N3O4 — CID 55404987

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O4/c1-11(2)22-19(27)24-15-6-4-3-5-13(15)18(26)28-10-17(25)23-16-9-12(20)7-8-14(16)21/h3-9,11H,10H2,1-2H3,(H,23,25)(H2,22,24,27)
InChIKeyNEBGBGPUDFQRHN-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.32
Rot. Bonds6

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate (PubChem CID 55404987) has the molecular formula C19H19Cl2N3O4 and a molecular weight of 424.28 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
PubChem CID55404987
Molecular FormulaC19H19Cl2N3O4
Molecular Weight424.28 g/mol
Exact Mass423.08
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O4/c1-11(2)22-19(27)24-15-6-4-3-5-13(15)18(26)28-10-17(25)23-16-9-12(20)7-8-14(16)21/h3-9,11H,10H2,1-2H3,(H,23,25)(H2,22,24,27)
InChIKeyNEBGBGPUDFQRHN-UHFFFAOYSA-N
XLogP4.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55405046
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610007
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55405291
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
CID 17470932
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786481
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605463
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877926
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519875
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55523255

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate (CID 55404987) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate is CC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate?
The InChIKey is NEBGBGPUDFQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4/c1-11(2)22-19(27)24-15-6-4-3-5-13(15)18(26)28-10-17(25)23-16-9-12(20)7-8-14(16)21/h3-9,11H,10H2,1-2H3,(H,23,25)(H2,22,24,27).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate has a molecular weight of 424.28 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 55404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).