N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide

C25H26ClNO3 — CID 56658562

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)C2CCCCC2)cc1
InChIInChI=1S/C25H26ClNO3/c1-29-22-13-9-19(10-14-22)25(28)27(21-5-3-2-4-6-21)17-23-15-16-24(30-23)18-7-11-20(26)12-8-18/h7-16,21H,2-6,17H2,1H3
InChIKeyZTJPHGHTGKOMBY-UHFFFAOYSA-N
MW423.94 g/mol
LogP6.58
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide (PubChem CID 56658562) has the molecular formula C25H26ClNO3 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide
PubChem CID56658562
Molecular FormulaC25H26ClNO3
Molecular Weight423.94 g/mol
Exact Mass423.16
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)C2CCCCC2)cc1
InChIInChI=1S/C25H26ClNO3/c1-29-22-13-9-19(10-14-22)25(28)27(21-5-3-2-4-6-21)17-23-15-16-24(30-23)18-7-11-20(26)12-8-18/h7-16,21H,2-6,17H2,1H3
InChIKeyZTJPHGHTGKOMBY-UHFFFAOYSA-N
XLogP6.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide (CID 56658562) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide is COc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)C2CCCCC2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide?
The InChIKey is ZTJPHGHTGKOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO3/c1-29-22-13-9-19(10-14-22)25(28)27(21-5-3-2-4-6-21)17-23-15-16-24(30-23)18-7-11-20(26)12-8-18/h7-16,21H,2-6,17H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide has a molecular weight of 423.94 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide is sourced from PubChem (CID 56658562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).