5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C23H24BrN3O4 — CID 126253070

IUPAC5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)cc(OC)c2o1
InChIInChI=1S/C23H24BrN3O4/c1-29-19-13-18(27-8-4-3-5-9-27)7-6-15(19)14-25-26-23(28)21-11-16-10-17(24)12-20(30-2)22(16)31-21/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,26,28)/b25-14-
InChIKeyKSALEZISFUNAHL-QFEZKATASA-N
MW486.37 g/mol
LogP4.97
Rot. Bonds6

About 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide

5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 126253070) has the molecular formula C23H24BrN3O4 and a molecular weight of 486.37 g/mol. Its IUPAC name is 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID126253070
Molecular FormulaC23H24BrN3O4
Molecular Weight486.37 g/mol
Exact Mass485.10
IUPAC Name5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)cc(OC)c2o1
InChIInChI=1S/C23H24BrN3O4/c1-29-19-13-18(27-8-4-3-5-9-27)7-6-15(19)14-25-26-23(28)21-11-16-10-17(24)12-20(30-2)22(16)31-21/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,26,28)/b25-14-
InChIKeyKSALEZISFUNAHL-QFEZKATASA-N
XLogP4.97
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 54.97
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'}

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Related Compounds

5-bromo-7-iodo-N-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5227780
4-hydroxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 126243453
5,7-dibromo-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376244
5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071
N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126246937
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)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 6293096
5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96886374
1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 4545514
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
5,7-dibromo-N-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376372
5-chloro-N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126118877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 126253070) is 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)cc(OC)c2o1.
What is the InChIKey of 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is KSALEZISFUNAHL-QFEZKATASA-N. The full InChI is InChI=1S/C23H24BrN3O4/c1-29-19-13-18(27-8-4-3-5-9-27)7-6-15(19)14-25-26-23(28)21-11-16-10-17(24)12-20(30-2)22(16)31-21/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,26,28)/b25-14-.
What are the key properties of 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126253070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).