N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

C15H14ClFN2O2 — CID 126027705

IUPACN-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13-9-11(1-3-14(13)17)18-10-12-2-4-15(21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2/b18-10+
InChIKeyYDUKYONKVFIZHL-VCHYOVAHSA-N
MW308.74 g/mol
LogP3.66
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (PubChem CID 126027705) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
PubChem CID126027705
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-13-9-11(1-3-14(13)17)18-10-12-2-4-15(21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2/b18-10+
InChIKeyYDUKYONKVFIZHL-VCHYOVAHSA-N
XLogP3.66
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (CID 126027705) is N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is Fc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The InChIKey is YDUKYONKVFIZHL-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-9-11(1-3-14(13)17)18-10-12-2-4-15(21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2/b18-10+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine has a molecular weight of 308.74 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is sourced from PubChem (CID 126027705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).