5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide

C20H22BrN3O3 — CID 27526972

IUPAC5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H22BrN3O3/c1-13(23-24-20(26)17-11-12-18(21)27-17)14-7-9-16(10-8-14)22-19(25)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,25)(H,24,26)/b23-13+
InChIKeyFCTDCZVJVAILBX-YDZHTSKRSA-N
MW432.32 g/mol
LogP4.71
Rot. Bonds5

About 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide

5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide (PubChem CID 27526972) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
PubChem CID27526972
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H22BrN3O3/c1-13(23-24-20(26)17-11-12-18(21)27-17)14-7-9-16(10-8-14)22-19(25)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,25)(H,24,26)/b23-13+
InChIKeyFCTDCZVJVAILBX-YDZHTSKRSA-N
XLogP4.71
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.71
H-Bond Donors ≤ 52
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

N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6027501
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
4-[(2-bromophenoxy)methyl]-N-[1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 3698670
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide (CID 27526972) is 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is FCTDCZVJVAILBX-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-13(23-24-20(26)17-11-12-18(21)27-17)14-7-9-16(10-8-14)22-19(25)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,25)(H,24,26)/b23-13+.
What are the key properties of 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide?
5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 27526972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).