[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate

C19H21ClN2O3 — CID 9228958

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-22(2)17-8-6-15(7-9-17)19(24)25-13-18(23)21-11-10-14-4-3-5-16(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyFRTSBIVAYOCIHS-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.92
Rot. Bonds7

About [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 9228958) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID9228958
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-22(2)17-8-6-15(7-9-17)19(24)25-13-18(23)21-11-10-14-4-3-5-16(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyFRTSBIVAYOCIHS-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 7665195
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
ethyl 4-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108952593
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013807
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518969
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197876

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate (CID 9228958) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is FRTSBIVAYOCIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-22(2)17-8-6-15(7-9-17)19(24)25-13-18(23)21-11-10-14-4-3-5-16(20)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 360.84 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 9228958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).