5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

C14H10BrN3O2 — CID 135688300

IUPAC5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)18-17-8-9-7-16-11-4-2-1-3-10(9)11/h1-8,16H,(H,18,19)/b17-8+
InChIKeyASBKUFWTFVMSJD-CAOOACKPSA-N
MW332.16 g/mol
LogP3.29
Rot. Bonds3

About 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (PubChem CID 135688300) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
PubChem CID135688300
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)18-17-8-9-7-16-11-4-2-1-3-10(9)11/h1-8,16H,(H,18,19)/b17-8+
InChIKeyASBKUFWTFVMSJD-CAOOACKPSA-N
XLogP3.29
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.29
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

5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
CID 135446585
5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648367
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (CID 135688300) is 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is ASBKUFWTFVMSJD-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-13-6-5-12(20-13)14(19)18-17-8-9-7-16-11-4-2-1-3-10(9)11/h1-8,16H,(H,18,19)/b17-8+.
What are the key properties of 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135688300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).