5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide

C15H21BrN2O2 — CID 1219220

IUPAC5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)10-4-6-11(7-5-10)17-18-14(19)12-8-9-13(16)20-12/h8-10H,4-7H2,1-3H3,(H,18,19)/b17-11-
InChIKeyXCHVPYSFXMFKGF-BOPFTXTBSA-N
MW341.25 g/mol
LogP4.36
Rot. Bonds2

About 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide

5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide (PubChem CID 1219220) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide
PubChem CID1219220
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)10-4-6-11(7-5-10)17-18-14(19)12-8-9-13(16)20-12/h8-10H,4-7H2,1-3H3,(H,18,19)/b17-11-
InChIKeyXCHVPYSFXMFKGF-BOPFTXTBSA-N
XLogP4.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.36
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'}

Analyze 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N'-(3-cyclohexen-1-ylmethylene)-2-furohydrazide
CID 6293290
5-bromo-N'-(1-isopropyl-4-piperidinylidene)-2-furohydrazide
CID 840404
5-bromo-N'-(1-propyl-4-piperidinylidene)-2-furohydrazide
CID 2851629
5-bromo-N'-(1-phenylpentylidene)-2-furohydrazide
CID 9632133
N'-bicyclo[3.2.0]hept-2-en-6-ylidene-5-bromo-2-furohydrazide
CID 9688602
5-bromo-N'-[1-(5-methyl-2-furyl)ethylidene]-2-furohydrazide
CID 5416348
5-bromo-N'-(1,2-dimethylpropylidene)-2-furohydrazide
CID 5416360
5-bromo-N-[(Z)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
CID 5433828
N'-(4-tert-butylcyclohexylidene)-2-furohydrazide
CID 831804
5-bromo-N'-cycloheptylidene-2-furohydrazide
CID 3283870
5-bromo-N'-(4-tert-pentylcyclohexylidene)-2-furohydrazide
CID 4244331
N'-(bicyclo[2.2.1]hept-2-ylmethylene)-5-bromo-2-furohydrazide
CID 9632536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide (CID 1219220) is 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide is CC(C)(C)C1CCC(=NNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide?
The InChIKey is XCHVPYSFXMFKGF-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)10-4-6-11(7-5-10)17-18-14(19)12-8-9-13(16)20-12/h8-10H,4-7H2,1-3H3,(H,18,19)/b17-11-.
What are the key properties of 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide?
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]furan-2-carboxamide is sourced from PubChem (CID 1219220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).