5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

C28H31F3N2O2 — CID 42750810

IUPAC5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C3CCCCC3)o2)cc1C
InChIInChI=1S/C28H31F3N2O2/c1-19-8-13-23(16-20(19)2)32-27(34)26-15-14-25(35-26)18-33(24-6-4-3-5-7-24)17-21-9-11-22(12-10-21)28(29,30)31/h8-16,24H,3-7,17-18H2,1-2H3,(H,32,34)
InChIKeyYPTGRFVPOGMJPR-UHFFFAOYSA-N
MW484.56 g/mol
LogP7.50
Rot. Bonds7

About 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 42750810) has the molecular formula C28H31F3N2O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID42750810
Molecular FormulaC28H31F3N2O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C3CCCCC3)o2)cc1C
InChIInChI=1S/C28H31F3N2O2/c1-19-8-13-23(16-20(19)2)32-27(34)26-15-14-25(35-26)18-33(24-6-4-3-5-7-24)17-21-9-11-22(12-10-21)28(29,30)31/h8-16,24H,3-7,17-18H2,1-2H3,(H,32,34)
InChIKeyYPTGRFVPOGMJPR-UHFFFAOYSA-N
XLogP7.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
CID 42750819
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
CID 7499284
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (CID 42750810) is 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C3CCCCC3)o2)cc1C.
What is the InChIKey of 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is YPTGRFVPOGMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O2/c1-19-8-13-23(16-20(19)2)32-27(34)26-15-14-25(35-26)18-33(24-6-4-3-5-7-24)17-21-9-11-22(12-10-21)28(29,30)31/h8-16,24H,3-7,17-18H2,1-2H3,(H,32,34).
What are the key properties of 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 7.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 42750810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).