[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate

C20H21ClN2O4 — CID 30221116

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13(2)11-22-18(24)12-27-20(26)16-5-3-4-6-17(16)23-19(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRVXZJCDZSXRUIO-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.52
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate

[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 30221116) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID30221116
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13(2)11-22-18(24)12-27-20(26)16-5-3-4-6-17(16)23-19(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRVXZJCDZSXRUIO-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate with MolForge

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Related Compounds

(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537822
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8601672
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55405291
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563374

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate (CID 30221116) is [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate is CC(C)CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is RVXZJCDZSXRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13(2)11-22-18(24)12-27-20(26)16-5-3-4-6-17(16)23-19(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 388.85 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 30221116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).