[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate

C20H20ClN3O5 — CID 8537822

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5/c1-2-11-22-20(28)24-17(25)12-29-19(27)15-5-3-4-6-16(15)23-18(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,23,26)(H2,22,24,25,28)
InChIKeyQOCKROBMRYSUSN-UHFFFAOYSA-N
MW417.85 g/mol
LogP2.98
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 8537822) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID8537822
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5/c1-2-11-22-20(28)24-17(25)12-29-19(27)15-5-3-4-6-16(15)23-18(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,23,26)(H2,22,24,25,28)
InChIKeyQOCKROBMRYSUSN-UHFFFAOYSA-N
XLogP2.98
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate with MolForge

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Related Compounds

(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8601672
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835862
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847813

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate (CID 8537822) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate is CCCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is QOCKROBMRYSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c1-2-11-22-20(28)24-17(25)12-29-19(27)15-5-3-4-6-16(15)23-18(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,23,26)(H2,22,24,25,28).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 417.85 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 8537822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).