N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine

C18H13ClF3NO — CID 15503025

IUPACN-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)oc1NCc1ccccc1
InChIInChI=1S/C18H13ClF3NO/c19-14-8-6-13(7-9-14)16-10-15(18(20,21)22)17(24-16)23-11-12-4-2-1-3-5-12/h1-10,23H,11H2
InChIKeyPTAIBJRGSOBNOO-UHFFFAOYSA-N
MW351.76 g/mol
LogP6.23
Rot. Bonds4

About N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine

N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine (PubChem CID 15503025) has the molecular formula C18H13ClF3NO and a molecular weight of 351.76 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine
PubChem CID15503025
Molecular FormulaC18H13ClF3NO
Molecular Weight351.76 g/mol
Exact Mass351.06
IUPAC NameN-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)oc1NCc1ccccc1
InChIInChI=1S/C18H13ClF3NO/c19-14-8-6-13(7-9-14)16-10-15(18(20,21)22)17(24-16)23-11-12-4-2-1-3-5-12/h1-10,23H,11H2
InChIKeyPTAIBJRGSOBNOO-UHFFFAOYSA-N
XLogP6.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine (CID 15503025) is N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)oc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine?
The InChIKey is PTAIBJRGSOBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO/c19-14-8-6-13(7-9-14)16-10-15(18(20,21)22)17(24-16)23-11-12-4-2-1-3-5-12/h1-10,23H,11H2.
What are the key properties of N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine?
N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine has a molecular weight of 351.76 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine is sourced from PubChem (CID 15503025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).