[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate

C20H21ClN2O4 — CID 55318916

IUPAC[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCC(OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(27-20(25)17-4-2-3-5-18(17)21)19(24)22-15-6-8-16(9-7-15)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyBSJOKMNMDKUAGM-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.36
Rot. Bonds5

About [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate

[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate (PubChem CID 55318916) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
PubChem CID55318916
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCC(OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(27-20(25)17-4-2-3-5-18(17)21)19(24)22-15-6-8-16(9-7-15)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyBSJOKMNMDKUAGM-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate 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

[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 7779372
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-fluorobenzoate
CID 7782049
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7374502
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7378633
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7261537
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 26057235
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7753036
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324450
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324452
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7376519

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate (CID 55318916) is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate is CC(OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The InChIKey is BSJOKMNMDKUAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14(27-20(25)17-4-2-3-5-18(17)21)19(24)22-15-6-8-16(9-7-15)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate?
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate has a molecular weight of 388.85 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 55318916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).