5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C26H28BrFN2O2 — CID 3929404

IUPAC5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN(Cc2ccc(Br)cc2)C2CCCCC2)o1
InChIInChI=1S/C26H28BrFN2O2/c27-21-10-6-20(7-11-21)17-30(23-4-2-1-3-5-23)18-24-14-15-25(32-24)26(31)29-16-19-8-12-22(28)13-9-19/h6-15,23H,1-5,16-18H2,(H,29,31)
InChIKeyWHBNLTRMZIPJOR-UHFFFAOYSA-N
MW499.42 g/mol
LogP6.45
Rot. Bonds8

About 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 3929404) has the molecular formula C26H28BrFN2O2 and a molecular weight of 499.42 g/mol. Its IUPAC name is 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID3929404
Molecular FormulaC26H28BrFN2O2
Molecular Weight499.42 g/mol
Exact Mass498.13
IUPAC Name5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN(Cc2ccc(Br)cc2)C2CCCCC2)o1
InChIInChI=1S/C26H28BrFN2O2/c27-21-10-6-20(7-11-21)17-30(23-4-2-1-3-5-23)18-24-14-15-25(32-24)26(31)29-16-19-8-12-22(28)13-9-19/h6-15,23H,1-5,16-18H2,(H,29,31)
InChIKeyWHBNLTRMZIPJOR-UHFFFAOYSA-N
XLogP6.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42750851
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 42750810
N-benzyl-2-[4-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 17499279
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
[5-[[benzyl(cyclohexyl)amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5198933
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 3929404) is 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(CN(Cc2ccc(Br)cc2)C2CCCCC2)o1.
What is the InChIKey of 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is WHBNLTRMZIPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrFN2O2/c27-21-10-6-20(7-11-21)17-30(23-4-2-1-3-5-23)18-24-14-15-25(32-24)26(31)29-16-19-8-12-22(28)13-9-19/h6-15,23H,1-5,16-18H2,(H,29,31).
What are the key properties of 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 499.42 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3929404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).