methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate

C20H21ClN2O5 — CID 7328431

IUPACmethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN2O5/c1-26-20(25)17-12-15(4-7-18(17)23-8-10-27-11-9-23)22-19(24)13-28-16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyODIZLILUJDHDMB-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.98
Rot. Bonds6

About methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate

methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (PubChem CID 7328431) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
PubChem CID7328431
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Namemethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN2O5/c1-26-20(25)17-12-15(4-7-18(17)23-8-10-27-11-9-23)22-19(24)13-28-16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyODIZLILUJDHDMB-UHFFFAOYSA-N
XLogP2.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (CID 7328431) is methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The InChIKey is ODIZLILUJDHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-26-20(25)17-12-15(4-7-18(17)23-8-10-27-11-9-23)22-19(24)13-28-16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,24).
What are the key properties of methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate has a molecular weight of 404.85 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7328431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).