N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide

C22H20BrN3O5 — CID 3269861

IUPACN-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H20BrN3O5/c23-17-11-15(5-6-19(17)30-14-21(27)26-7-9-29-10-8-26)13-24-25-22(28)20-12-16-3-1-2-4-18(16)31-20/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeyOIZFJCVAUVXMMB-UHFFFAOYSA-N
MW486.32 g/mol
LogP3.20
Rot. Bonds6

About N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide

N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 3269861) has the molecular formula C22H20BrN3O5 and a molecular weight of 486.32 g/mol. Its IUPAC name is N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID3269861
Molecular FormulaC22H20BrN3O5
Molecular Weight486.32 g/mol
Exact Mass485.06
IUPAC NameN-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H20BrN3O5/c23-17-11-15(5-6-19(17)30-14-21(27)26-7-9-29-10-8-26)13-24-25-22(28)20-12-16-3-1-2-4-18(16)31-20/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeyOIZFJCVAUVXMMB-UHFFFAOYSA-N
XLogP3.20
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6058236
N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 4315941
5-bromo-N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 126380726
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
N-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3419462
N-[[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3413947
N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126379700
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126023954
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
3,5-dibromo-2-hydroxy-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126019355
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
methyl 2-[4-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-bromo-6-chlorophenoxy]acetate
CID 1278903

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide (CID 3269861) is N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is O=C(NN=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is OIZFJCVAUVXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O5/c23-17-11-15(5-6-19(17)30-14-21(27)26-7-9-29-10-8-26)13-24-25-22(28)20-12-16-3-1-2-4-18(16)31-20/h1-6,11-13H,7-10,14H2,(H,25,28).
What are the key properties of N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 486.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3269861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).