N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide

C24H14Br2N2O2 — CID 21375519

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C24H14Br2N2O2/c25-17-10-16-11-22(30-23(16)21(26)12-17)24(29)28-27-13-20-18-7-3-1-5-14(18)9-15-6-2-4-8-19(15)20/h1-13H,(H,28,29)/b27-13-
InChIKeyKGPYWFAHWLMXKH-WKIKZPBSSA-N
MW522.20 g/mol
LogP7.03
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide

N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide (PubChem CID 21375519) has the molecular formula C24H14Br2N2O2 and a molecular weight of 522.20 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
PubChem CID21375519
Molecular FormulaC24H14Br2N2O2
Molecular Weight522.20 g/mol
Exact Mass519.94
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C24H14Br2N2O2/c25-17-10-16-11-22(30-23(16)21(26)12-17)24(29)28-27-13-20-18-7-3-1-5-14(18)9-15-6-2-4-8-19(15)20/h1-13H,(H,28,29)/b27-13-
InChIKeyKGPYWFAHWLMXKH-WKIKZPBSSA-N
XLogP7.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.20
LogP ≤ 57.03
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,7-dibromo-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563355
5,7-dibromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21375712
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)-(1-methylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376041
5,7-dibromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376301
5,7-dibromo-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376279
5-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126019339
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)-(5-bromo-2-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376210
5,7-dibromo-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376065
5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide (CID 21375519) is N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide is O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide?
The InChIKey is KGPYWFAHWLMXKH-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H14Br2N2O2/c25-17-10-16-11-22(30-23(16)21(26)12-17)24(29)28-27-13-20-18-7-3-1-5-14(18)9-15-6-2-4-8-19(15)20/h1-13H,(H,28,29)/b27-13-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide has a molecular weight of 522.20 g/mol, XLogP of 7.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21375519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).