N-(4-chlorophenyl)-1-(furan-2-yl)methanimine

C11H8ClNO — CID 964631

IUPACN-(4-chlorophenyl)-1-(furan-2-yl)methanimine
SMILESClc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+
InChIKeyCBMIDHRPAHWIMC-MDWZMJQESA-N
MW205.64 g/mol
LogP3.68
Rot. Bonds2

About N-(4-chlorophenyl)-1-(furan-2-yl)methanimine

N-(4-chlorophenyl)-1-(furan-2-yl)methanimine (PubChem CID 964631) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(furan-2-yl)methanimine
PubChem CID964631
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC NameN-(4-chlorophenyl)-1-(furan-2-yl)methanimine
SMILESClc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+
InChIKeyCBMIDHRPAHWIMC-MDWZMJQESA-N
XLogP3.68
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(Furfurylidene)-P-anisidine
CID 778756
N-Furfurylidene-M-toluidine
CID 5046711
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
CID 781698
1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
CID 11183543
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 886509
4-((1E)-2-(2-furyl)-1-azavinyl)phenol
CID 674723
p-Phenylenediamine, N,N'-difurfurylidene-
CID 99740
1-(furan-2-yl)-N-phenylmethanimine oxide
CID 1585019
N-furfurylidene-p-toluidine
CID 899953
Benzenamine, N-(2-furanylmethylene)-2-methoxy-
CID 11390044
N-[(Z)-furan-2-ylmethylidene]-N-phenylamine oxide
CID 717510
1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
CID 2356382

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine (CID 964631) is N-(4-chlorophenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine is Clc1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine?
The InChIKey is CBMIDHRPAHWIMC-MDWZMJQESA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+.
What are the key properties of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine?
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine has a molecular weight of 205.64 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 964631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).