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

C19H19FN2O4 — CID 108948317

IUPACmethyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-26-19(25)14-7-3-5-9-16(14)22-18(24)12-17(23)21-11-10-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyMQTAMEGSAGTCTG-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.30
Rot. Bonds7

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

methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate (PubChem CID 108948317) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
PubChem CID108948317
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namemethyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-26-19(25)14-7-3-5-9-16(14)22-18(24)12-17(23)21-11-10-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyMQTAMEGSAGTCTG-UHFFFAOYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108949851
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
methyl 2-[[5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236389
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate (CID 108948317) is methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC(=O)NCCc1ccccc1F.
What is the InChIKey of methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
The InChIKey is MQTAMEGSAGTCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-26-19(25)14-7-3-5-9-16(14)22-18(24)12-17(23)21-11-10-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate?
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate has a molecular weight of 358.37 g/mol, XLogP of 2.30, 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-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108948317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).