5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide

C19H13Br2N3O2 — CID 21376041

IUPAC5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCn1cc(/C=N\NC(=O)c2cc3cc(Br)cc(Br)c3o2)c2ccccc21
InChIInChI=1S/C19H13Br2N3O2/c1-24-10-12(14-4-2-3-5-16(14)24)9-22-23-19(25)17-7-11-6-13(20)8-15(21)18(11)26-17/h2-10H,1H3,(H,23,25)/b22-9-
InChIKeyUCSZFCIIOKRKGP-AFPJDJCSSA-N
MW475.14 g/mol
LogP5.21
Rot. Bonds3

About 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide

5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 21376041) has the molecular formula C19H13Br2N3O2 and a molecular weight of 475.14 g/mol. Its IUPAC name is 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID21376041
Molecular FormulaC19H13Br2N3O2
Molecular Weight475.14 g/mol
Exact Mass472.94
IUPAC Name5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCn1cc(/C=N\NC(=O)c2cc3cc(Br)cc(Br)c3o2)c2ccccc21
InChIInChI=1S/C19H13Br2N3O2/c1-24-10-12(14-4-2-3-5-16(14)24)9-22-23-19(25)17-7-11-6-13(20)8-15(21)18(11)26-17/h2-10H,1H3,(H,23,25)/b22-9-
InChIKeyUCSZFCIIOKRKGP-AFPJDJCSSA-N
XLogP5.21
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.14
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5,7-dibromo-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376065
5,7-dibromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21375712
N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
CID 21375519
5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563355
5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071
5-bromo-7-iodo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022240
5,7-dibromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376233
5,7-dibromo-N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563380
5,7-dibromo-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376244
5,7-dibromo-N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376210
5,7-dibromo-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376279
5,7-dibromo-N-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376372

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 21376041) is 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is Cn1cc(/C=N\NC(=O)c2cc3cc(Br)cc(Br)c3o2)c2ccccc21.
What is the InChIKey of 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is UCSZFCIIOKRKGP-AFPJDJCSSA-N. The full InChI is InChI=1S/C19H13Br2N3O2/c1-24-10-12(14-4-2-3-5-16(14)24)9-22-23-19(25)17-7-11-6-13(20)8-15(21)18(11)26-17/h2-10H,1H3,(H,23,25)/b22-9-.
What are the key properties of 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 475.14 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21376041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).