(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one

C19H10Cl2N2O4 — CID 18270118

IUPAC(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C19H10Cl2N2O4/c20-10-1-4-13-15(19(24)22-16(13)7-10)9-12-3-6-18(27-12)14-5-2-11(21)8-17(14)23(25)26/h1-9H,(H,22,24)/b15-9-
InChIKeyJVSQQJXMYBMPOP-DHDCSXOGSA-N
MW401.21 g/mol
LogP5.65
Rot. Bonds3

About (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 18270118) has the molecular formula C19H10Cl2N2O4 and a molecular weight of 401.21 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID18270118
Molecular FormulaC19H10Cl2N2O4
Molecular Weight401.21 g/mol
Exact Mass400.00
IUPAC Name(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C19H10Cl2N2O4/c20-10-1-4-13-15(19(24)22-16(13)7-10)9-12-3-6-18(27-12)14-5-2-11(21)8-17(14)23(25)26/h1-9H,(H,22,24)/b15-9-
InChIKeyJVSQQJXMYBMPOP-DHDCSXOGSA-N
XLogP5.65
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.21
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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

6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
CID 70190219
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126246526
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126227516
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126241446
(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66553955
(5E)-1-(4-chlorophenyl)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1362929
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
(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
5-[[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 66554114
(4Z)-2-(2,4-dichlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19670053

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 18270118) is (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is JVSQQJXMYBMPOP-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H10Cl2N2O4/c20-10-1-4-13-15(19(24)22-16(13)7-10)9-12-3-6-18(27-12)14-5-2-11(21)8-17(14)23(25)26/h1-9H,(H,22,24)/b15-9-.
What are the key properties of (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 401.21 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 18270118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).