[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate

C20H21ClN2O3 — CID 24531214

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C20H21ClN2O3/c21-15-7-5-14(6-8-15)11-12-22-18-4-2-1-3-17(18)20(25)26-13-19(24)23-16-9-10-16/h1-8,16,22H,9-13H2,(H,23,24)
InChIKeySBNLWYZJGAWCRU-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.43
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate (PubChem CID 24531214) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
PubChem CID24531214
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C20H21ClN2O3/c21-15-7-5-14(6-8-15)11-12-22-18-4-2-1-3-17(18)20(25)26-13-19(24)23-16-9-10-16/h1-8,16,22H,9-13H2,(H,23,24)
InChIKeySBNLWYZJGAWCRU-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2100040
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544477
[2-(cyclohexylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613877
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
CID 24531240
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate (CID 24531214) is [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate is O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The InChIKey is SBNLWYZJGAWCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-15-7-5-14(6-8-15)11-12-22-18-4-2-1-3-17(18)20(25)26-13-19(24)23-16-9-10-16/h1-8,16,22H,9-13H2,(H,23,24).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate has a molecular weight of 372.85 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate is sourced from PubChem (CID 24531214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).