methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate

C20H22ClN3O4 — CID 2437231

IUPACmethyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c1-27-20(26)15-4-2-3-5-16(15)23-19(25)13-22-17-12-14(21)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,22H,8-11,13H2,1H3,(H,23,25)
InChIKeyPLLUDWKUWZMKSY-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.01
Rot. Bonds6

About methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate

methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate (PubChem CID 2437231) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate
PubChem CID2437231
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Namemethyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c1-27-20(26)15-4-2-3-5-16(15)23-19(25)13-22-17-12-14(21)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,22H,8-11,13H2,1H3,(H,23,25)
InChIKeyPLLUDWKUWZMKSY-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate (CID 2437231) is methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The InChIKey is PLLUDWKUWZMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-27-20(26)15-4-2-3-5-16(15)23-19(25)13-22-17-12-14(21)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,22H,8-11,13H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate?
methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate has a molecular weight of 403.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-chloro-2-morpholin-4-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 2437231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).