5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

C20H14BrN3O2 — CID 135648367

IUPAC5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H14BrN3O2/c21-15-7-5-13(6-8-15)18-9-10-19(26-18)20(25)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-12,22H,(H,24,25)/b23-12+
InChIKeyKSFUYPYWMMPCHG-FSJBWODESA-N
MW408.26 g/mol
LogP4.95
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (PubChem CID 135648367) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
PubChem CID135648367
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Name5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H14BrN3O2/c21-15-7-5-13(6-8-15)18-9-10-19(26-18)20(25)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-12,22H,(H,24,25)/b23-12+
InChIKeyKSFUYPYWMMPCHG-FSJBWODESA-N
XLogP4.95
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.95
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
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
CID 135446585
N-[(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide
CID 3252604
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648369
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (CID 135648367) is 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is KSFUYPYWMMPCHG-FSJBWODESA-N. The full InChI is InChI=1S/C20H14BrN3O2/c21-15-7-5-13(6-8-15)18-9-10-19(26-18)20(25)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-12,22H,(H,24,25)/b23-12+.
What are the key properties of 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135648367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).