methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate

C19H18Cl2N2O4 — CID 2809863

IUPACmethyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-19(25)13-11-12(5-6-16(13)23-7-9-27-10-8-23)22-18(24)17-14(20)3-2-4-15(17)21/h2-6,11H,7-10H2,1H3,(H,22,24)
InChIKeyVRJUUPGXXJOUBR-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.87
Rot. Bonds4

About methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate

methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 2809863) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID2809863
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Namemethyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-19(25)13-11-12(5-6-16(13)23-7-9-27-10-8-23)22-18(24)17-14(20)3-2-4-15(17)21/h2-6,11H,7-10H2,1H3,(H,22,24)
InChIKeyVRJUUPGXXJOUBR-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 7329194

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 2809863) is methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is VRJUUPGXXJOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-19(25)13-11-12(5-6-16(13)23-7-9-27-10-8-23)22-18(24)17-14(20)3-2-4-15(17)21/h2-6,11H,7-10H2,1H3,(H,22,24).
What are the key properties of methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 409.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2809863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).