[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate

C20H23ClN2O3 — CID 7665195

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-3-23(4-2)18-10-8-16(9-11-18)20(25)26-14-19(24)22-13-15-6-5-7-17(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyBLQUAEBJZAVARO-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.66
Rot. Bonds8

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 7665195) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID7665195
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-3-23(4-2)18-10-8-16(9-11-18)20(25)26-14-19(24)22-13-15-6-5-7-17(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyBLQUAEBJZAVARO-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228958
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-nitrobenzoate
CID 7834709
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 50929498
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387076
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate (CID 7665195) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is BLQUAEBJZAVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-3-23(4-2)18-10-8-16(9-11-18)20(25)26-14-19(24)22-13-15-6-5-7-17(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 374.87 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 7665195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).