5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide

C26H28ClFN2O2 — CID 5038948

IUPAC5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(CN(Cc2cccc(F)c2)Cc2ccccc2Cl)o1
InChIInChI=1S/C26H28ClFN2O2/c27-24-12-5-4-8-20(24)17-30(16-19-7-6-9-21(28)15-19)18-23-13-14-25(32-23)26(31)29-22-10-2-1-3-11-22/h4-9,12-15,22H,1-3,10-11,16-18H2,(H,29,31)
InChIKeyMYUYWQLEEKGYHO-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.34
Rot. Bonds8

About 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide

5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide (PubChem CID 5038948) has the molecular formula C26H28ClFN2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
PubChem CID5038948
Molecular FormulaC26H28ClFN2O2
Molecular Weight454.97 g/mol
Exact Mass454.18
IUPAC Name5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(CN(Cc2cccc(F)c2)Cc2ccccc2Cl)o1
InChIInChI=1S/C26H28ClFN2O2/c27-24-12-5-4-8-20(24)17-30(16-19-7-6-9-21(28)15-19)18-23-13-14-25(32-23)26(31)29-22-10-2-1-3-11-22/h4-9,12-15,22H,1-3,10-11,16-18H2,(H,29,31)
InChIKeyMYUYWQLEEKGYHO-UHFFFAOYSA-N
XLogP6.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.97
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 3914029
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 3916484
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3666354

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide (CID 5038948) is 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide is O=C(NC1CCCCC1)c1ccc(CN(Cc2cccc(F)c2)Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide?
The InChIKey is MYUYWQLEEKGYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O2/c27-24-12-5-4-8-20(24)17-30(16-19-7-6-9-21(28)15-19)18-23-13-14-25(32-23)26(31)29-22-10-2-1-3-11-22/h4-9,12-15,22H,1-3,10-11,16-18H2,(H,29,31).
What are the key properties of 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide?
5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide has a molecular weight of 454.97 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 5038948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).