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

C19H13Br2N3O2 — CID 135563355

IUPAC5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C19H13Br2N3O2/c1-10-14(13-4-2-3-5-16(13)23-10)9-22-24-19(25)17-7-11-6-12(20)8-15(21)18(11)26-17/h2-9,23H,1H3,(H,24,25)/b22-9-
InChIKeyNMNDLHACTJDQRF-AFPJDJCSSA-N
MW475.14 g/mol
LogP5.51
Rot. Bonds3

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

5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 135563355) has the molecular formula C19H13Br2N3O2 and a molecular weight of 475.14 g/mol. Its IUPAC name is 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID135563355
Molecular FormulaC19H13Br2N3O2
Molecular Weight475.14 g/mol
Exact Mass472.94
IUPAC Name5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C19H13Br2N3O2/c1-10-14(13-4-2-3-5-16(13)23-10)9-22-24-19(25)17-7-11-6-12(20)8-15(21)18(11)26-17/h2-9,23H,1H3,(H,24,25)/b22-9-
InChIKeyNMNDLHACTJDQRF-AFPJDJCSSA-N
XLogP5.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.14
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
CID 21375519
5,7-dibromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376233
5,7-dibromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21375712
5,7-dibromo-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376041
5,7-dibromo-N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563380
5-bromo-N-[(Z)-[2-[(2S)-butan-2-yl]-1H-indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 135951036
5-bromo-N-[(Z)-[2-[(2R)-butan-2-yl]-1H-indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 135951035
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
4-[[1-[(Z)-[(5,7-dibromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid
CID 21376297
5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 135563355) is 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is NMNDLHACTJDQRF-AFPJDJCSSA-N. The full InChI is InChI=1S/C19H13Br2N3O2/c1-10-14(13-4-2-3-5-16(13)23-10)9-22-24-19(25)17-7-11-6-12(20)8-15(21)18(11)26-17/h2-9,23H,1H3,(H,24,25)/b22-9-.
What are the key properties of 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide?
5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 475.14 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135563355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).