(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine

C15H14ClN3O4 — CID 9216841

IUPAC(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\N2CCOCC2)o1
InChIInChI=1S/C15H14ClN3O4/c16-11-1-3-13(14(9-11)19(20)21)15-4-2-12(23-15)10-17-18-5-7-22-8-6-18/h1-4,9-10H,5-8H2/b17-10-
InChIKeyFMAQFZKRAJBKRK-YVLHZVERSA-N
MW335.75 g/mol
LogP3.17
Rot. Bonds4

About (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine (PubChem CID 9216841) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine
PubChem CID9216841
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\N2CCOCC2)o1
InChIInChI=1S/C15H14ClN3O4/c16-11-1-3-13(14(9-11)19(20)21)15-4-2-12(23-15)10-17-18-5-7-22-8-6-18/h1-4,9-10H,5-8H2/b17-10-
InChIKeyFMAQFZKRAJBKRK-YVLHZVERSA-N
XLogP3.17
TPSA81.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,6R,7R,8S,10S)-4-[(E)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98079259
(1R,2R,6R,7R,8S,10R)-4-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99721210
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126045435
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675713
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 6932977
N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine
CID 1275789
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine (CID 9216841) is (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine is O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\N2CCOCC2)o1.
What is the InChIKey of (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is FMAQFZKRAJBKRK-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-11-1-3-13(14(9-11)19(20)21)15-4-2-12(23-15)10-17-18-5-7-22-8-6-18/h1-4,9-10H,5-8H2/b17-10-.
What are the key properties of (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 335.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 9216841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).