N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine

C23H22Cl3NO — CID 45272733

IUPACN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3NO/c1-14-21(13-27-18-4-2-3-5-18)28-23(19-11-10-17(25)12-20(19)26)22(14)15-6-8-16(24)9-7-15/h6-12,18,27H,2-5,13H2,1H3
InChIKeyPDPBVSPIXUVWNZ-UHFFFAOYSA-N
MW434.79 g/mol
LogP7.91
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine

N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine (PubChem CID 45272733) has the molecular formula C23H22Cl3NO and a molecular weight of 434.79 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine
PubChem CID45272733
Molecular FormulaC23H22Cl3NO
Molecular Weight434.79 g/mol
Exact Mass433.08
IUPAC NameN-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3NO/c1-14-21(13-27-18-4-2-3-5-18)28-23(19-11-10-17(25)12-20(19)26)22(14)15-6-8-16(24)9-7-15/h6-12,18,27H,2-5,13H2,1H3
InChIKeyPDPBVSPIXUVWNZ-UHFFFAOYSA-N
XLogP7.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.79
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine (CID 45272733) is N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine is Cc1c(CNC2CCCC2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine?
The InChIKey is PDPBVSPIXUVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3NO/c1-14-21(13-27-18-4-2-3-5-18)28-23(19-11-10-17(25)12-20(19)26)22(14)15-6-8-16(24)9-7-15/h6-12,18,27H,2-5,13H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine?
N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine has a molecular weight of 434.79 g/mol, XLogP of 7.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-methylfuran-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45272733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).