N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline

C17H8ClF5N2O — CID 3578856

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NN=Cc2ccc(-c3cccc(Cl)c3)o2)c(F)c1F
InChIInChI=1S/C17H8ClF5N2O/c18-9-3-1-2-8(6-9)11-5-4-10(26-11)7-24-25-17-15(22)13(20)12(19)14(21)16(17)23/h1-7,25H
InChIKeyMRADUJADSBJLCB-UHFFFAOYSA-N
MW386.71 g/mol
LogP5.74
Rot. Bonds4

About N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline

N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline (PubChem CID 3578856) has the molecular formula C17H8ClF5N2O and a molecular weight of 386.71 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
PubChem CID3578856
Molecular FormulaC17H8ClF5N2O
Molecular Weight386.71 g/mol
Exact Mass386.02
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NN=Cc2ccc(-c3cccc(Cl)c3)o2)c(F)c1F
InChIInChI=1S/C17H8ClF5N2O/c18-9-3-1-2-8(6-9)11-5-4-10(26-11)7-24-25-17-15(22)13(20)12(19)14(21)16(17)23/h1-7,25H
InChIKeyMRADUJADSBJLCB-UHFFFAOYSA-N
XLogP5.74
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline (CID 3578856) is N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is Fc1c(F)c(F)c(NN=Cc2ccc(-c3cccc(Cl)c3)o2)c(F)c1F.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is MRADUJADSBJLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF5N2O/c18-9-3-1-2-8(6-9)11-5-4-10(26-11)7-24-25-17-15(22)13(20)12(19)14(21)16(17)23/h1-7,25H.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 386.71 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 3578856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).