methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate

C19H19ClN2O4 — CID 108949851

IUPACmethyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-26-19(25)15-4-2-3-5-16(15)22-18(24)12-17(23)21-11-10-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyMTLNXGWLFBRTDS-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.81
Rot. Bonds7

About methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate

methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate (PubChem CID 108949851) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
PubChem CID108949851
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Namemethyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-26-19(25)15-4-2-3-5-16(15)22-18(24)12-17(23)21-11-10-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyMTLNXGWLFBRTDS-UHFFFAOYSA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044
methyl 2-[[3-[(4-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945817
methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 3-[3-(4-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 108745784

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate (CID 108949851) is methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The InChIKey is MTLNXGWLFBRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-26-19(25)15-4-2-3-5-16(15)22-18(24)12-17(23)21-11-10-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108949851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).