[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate

C22H18ClNO3 — CID 11689424

IUPAC[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate
SMILESO=C(OC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-19-13-11-17(12-14-19)20(27-22(26)18-9-5-2-6-10-18)21(25)24-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H,24,25)
InChIKeyRBBMGBDWSWOIQU-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.55
Rot. Bonds6

About [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate

[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate (PubChem CID 11689424) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate
PubChem CID11689424
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate
SMILESO=C(OC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-19-13-11-17(12-14-19)20(27-22(26)18-9-5-2-6-10-18)21(25)24-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H,24,25)
InChIKeyRBBMGBDWSWOIQU-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
Robotnikinin
CID 25109985
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2352738
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2363527
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2436445
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4782886
N-benzyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4875432
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 24955187
N-(4-chlorobenzyl)-2-((2S,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide
CID 46879994
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
CID 66976494
[2-[2-(2,4-Dichlorophenyl)ethylamino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2097616

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate (CID 11689424) is [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate is O=C(OC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate?
The InChIKey is RBBMGBDWSWOIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-19-13-11-17(12-14-19)20(27-22(26)18-9-5-2-6-10-18)21(25)24-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H,24,25).
What are the key properties of [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate?
[2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate has a molecular weight of 379.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] benzoate is sourced from PubChem (CID 11689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).