[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate

C20H21ClN2O4 — CID 2624463

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-3-14-8-4-7-11-17(14)22-18(24)12-23(2)19(25)13-27-20(26)15-9-5-6-10-16(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyDCXHTBIGCJUKNH-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.16
Rot. Bonds7

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2624463) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate
PubChem CID2624463
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-3-14-8-4-7-11-17(14)22-18(24)12-23(2)19(25)13-27-20(26)15-9-5-6-10-16(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyDCXHTBIGCJUKNH-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 902717
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate
CID 2500874
tm5275 sodium salt
CID 53240409
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 3-chlorobenzoate
CID 978516
2-(2-Chlorophenyl)-2-oxoethyl 4-methyl-3-(propionylamino)benzoate
CID 1218287
2-chloro-6-fluorobenzyl N-[4-(acetylamino)benzoyl]glycinate
CID 1293777
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2380399
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2384771
N-(2-Chlorobenzoyl)glycine 2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl ester
CID 2418014
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 2428835

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate (CID 2624463) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccccc1Cl.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is DCXHTBIGCJUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-14-8-4-7-11-17(14)22-18(24)12-23(2)19(25)13-27-20(26)15-9-5-6-10-16(15)21/h4-11H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 388.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2624463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).