5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide

C28H32Cl2N2O2 — CID 5174076

IUPAC5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)o2)C2CCCCC2)c1
InChIInChI=1S/C28H32Cl2N2O2/c1-20-6-5-7-21(16-20)18-32(24-8-3-2-4-9-24)19-25-12-13-27(34-25)28(33)31-15-14-22-10-11-23(29)17-26(22)30/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18-19H2,1H3,(H,31,33)
InChIKeySUNKKBSAAWIBLU-UHFFFAOYSA-N
MW499.48 g/mol
LogP7.20
Rot. Bonds9

About 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide (PubChem CID 5174076) has the molecular formula C28H32Cl2N2O2 and a molecular weight of 499.48 g/mol. Its IUPAC name is 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
PubChem CID5174076
Molecular FormulaC28H32Cl2N2O2
Molecular Weight499.48 g/mol
Exact Mass498.18
IUPAC Name5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)o2)C2CCCCC2)c1
InChIInChI=1S/C28H32Cl2N2O2/c1-20-6-5-7-21(16-20)18-32(24-8-3-2-4-9-24)19-25-12-13-27(34-25)28(33)31-15-14-22-10-11-23(29)17-26(22)30/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18-19H2,1H3,(H,31,33)
InChIKeySUNKKBSAAWIBLU-UHFFFAOYSA-N
XLogP7.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.48
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5095437
5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 3353343
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
CID 20968743
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 42750810
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
(2R)-N-cyclohexyl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585560

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide (CID 5174076) is 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide is Cc1cccc(CN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)o2)C2CCCCC2)c1.
What is the InChIKey of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is SUNKKBSAAWIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O2/c1-20-6-5-7-21(16-20)18-32(24-8-3-2-4-9-24)19-25-12-13-27(34-25)28(33)31-15-14-22-10-11-23(29)17-26(22)30/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18-19H2,1H3,(H,31,33).
What are the key properties of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 499.48 g/mol, XLogP of 7.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5174076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).