methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate

C17H21FN2O3 — CID 86922278

IUPACmethyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H21FN2O3/c1-23-17(22)12-6-7-13(18)14(8-12)19-9-15(21)20-16(10-2-3-10)11-4-5-11/h6-8,10-11,16,19H,2-5,9H2,1H3,(H,20,21)
InChIKeyHFORDAOJSFCEKB-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.33
Rot. Bonds7

About methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate

methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate (PubChem CID 86922278) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
PubChem CID86922278
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Namemethyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H21FN2O3/c1-23-17(22)12-6-7-13(18)14(8-12)19-9-15(21)20-16(10-2-3-10)11-4-5-11/h6-8,10-11,16,19H,2-5,9H2,1H3,(H,20,21)
InChIKeyHFORDAOJSFCEKB-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate with MolForge

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Related Compounds

methyl 4-fluoro-3-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 86930911
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate
CID 31418743
methyl 4-fluoro-3-[[2-(2-iodoanilino)-2-oxoethyl]amino]benzoate
CID 31418792
methyl 4-fluoro-3-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655832
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
methyl 4-fluoro-3-(oxolan-3-ylmethylamino)benzoate
CID 43684495
methyl 3-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 43052619
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 37230634
methyl 4-fluoro-3-(pentylamino)benzoate
CID 43684380

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate?
The IUPAC name of methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate (CID 86922278) is methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate is COC(=O)c1ccc(F)c(NCC(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate?
The InChIKey is HFORDAOJSFCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-23-17(22)12-6-7-13(18)14(8-12)19-9-15(21)20-16(10-2-3-10)11-4-5-11/h6-8,10-11,16,19H,2-5,9H2,1H3,(H,20,21).
What are the key properties of methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate?
methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate has a molecular weight of 320.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate is sourced from PubChem (CID 86922278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).