methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate

C17H21ClN2O3 — CID 37230634

IUPACmethyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cc(NCC(=O)NC(C2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C17H21ClN2O3/c1-23-17(22)13-8-12(6-7-14(13)18)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)
InChIKeyXFKHNIVCKTXFDE-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.84
Rot. Bonds7

About methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate

methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate (PubChem CID 37230634) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
PubChem CID37230634
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Namemethyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cc(NCC(=O)NC(C2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C17H21ClN2O3/c1-23-17(22)13-8-12(6-7-14(13)18)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)
InChIKeyXFKHNIVCKTXFDE-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-5-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]benzoate
CID 37230322
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 29470932
methyl 2-chloro-5-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 37230278
methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37230186
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
CID 86922278
methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
CID 106633173
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
CID 29458027
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate (CID 37230634) is methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate is COC(=O)c1cc(NCC(=O)NC(C2CC2)C2CC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is XFKHNIVCKTXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-23-17(22)13-8-12(6-7-14(13)18)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 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate?
methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 336.82 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 37230634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).