[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate

C22H19ClN2O3 — CID 2348321

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O3/c23-19-12-6-4-8-16(19)14-24-21(26)15-28-22(27)18-11-5-7-13-20(18)25-17-9-2-1-3-10-17/h1-13,25H,14-15H2,(H,24,26)
InChIKeyVFAROGSVWBCCAW-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.56
Rot. Bonds7

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2348321) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate
PubChem CID2348321
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O3/c23-19-12-6-4-8-16(19)14-24-21(26)15-28-22(27)18-11-5-7-13-20(18)25-17-9-2-1-3-10-17/h1-13,25H,14-15H2,(H,24,26)
InChIKeyVFAROGSVWBCCAW-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate 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-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
TM5275free
CID 25174437
tm5275 sodium salt
CID 53240409
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 3-chlorobenzoate
CID 978516
2-Amino-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089231
2-chloro-6-fluorobenzyl N-[4-(acetylamino)benzoyl]glycinate
CID 1293777
2-Oxo-2-(phenylamino)ethyl 2-(phenylamino)benzoate
CID 2348438
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2384771
2-(Benzylamino)-2-oxoethyl 2-(phenylamino)benzoate
CID 2389541
[2-(4-Carbamoylanilino)-2-oxoethyl] 2-anilinobenzoate
CID 2391321
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2410001

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate (CID 2348321) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is VFAROGSVWBCCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-19-12-6-4-8-16(19)14-24-21(26)15-28-22(27)18-11-5-7-13-20(18)25-17-9-2-1-3-10-17/h1-13,25H,14-15H2,(H,24,26).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 394.86 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2348321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).