ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate

C20H20BrClN2O4 — CID 4907817

IUPACethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H20BrClN2O4/c1-2-28-20(26)16-12-14(4-6-18(16)24-7-9-27-10-8-24)23-19(25)15-11-13(21)3-5-17(15)22/h3-6,11-12H,2,7-10H2,1H3,(H,23,25)
InChIKeyVBWAHGXWVKDOLR-UHFFFAOYSA-N
MW467.75 g/mol
LogP4.37
Rot. Bonds5

About ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate

ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 4907817) has the molecular formula C20H20BrClN2O4 and a molecular weight of 467.75 g/mol. Its IUPAC name is ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID4907817
Molecular FormulaC20H20BrClN2O4
Molecular Weight467.75 g/mol
Exact Mass466.03
IUPAC Nameethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H20BrClN2O4/c1-2-28-20(26)16-12-14(4-6-18(16)24-7-9-27-10-8-24)23-19(25)15-11-13(21)3-5-17(15)22/h3-6,11-12H,2,7-10H2,1H3,(H,23,25)
InChIKeyVBWAHGXWVKDOLR-UHFFFAOYSA-N
XLogP4.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.75
LogP ≤ 54.37
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

5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
ethyl 5-[(4-methoxy-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4909958
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 4907817) is ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is VBWAHGXWVKDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O4/c1-2-28-20(26)16-12-14(4-6-18(16)24-7-9-27-10-8-24)23-19(25)15-11-13(21)3-5-17(15)22/h3-6,11-12H,2,7-10H2,1H3,(H,23,25).
What are the key properties of ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate?
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 467.75 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 4907817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).