5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide

C110H88BBrN14O16 — CID 172929526

IUPAC5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)o3)cc2)cc1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)o1.O=Cc1ccc(-c2ccc(-c3ccc(C=O)o3)cc2)cc1.O=Cc1ccc(-c2ccc(Br)cc2)o1.O=Cc1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)o3)cc2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)cc1
InChIInChI=1S/C20H20N4O3.C18H16N4O3.C18H16N4O.C18H10N2O.C18H12O3.C11H7BrO2.C7H7BO3/c1-25-23-19(21)16-9-5-14(6-10-16)13-3-7-15(8-4-13)17-11-12-18(27-17)20(22)24-26-2;19-17(21-23)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(25-15)18(20)22-24;19-17(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(23-15)18(21)22;1-20-16-8-6-14(7-9-16)13-2-4-15(5-3-13)18-11-10-17(12-19)21-18;19-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)18-10-9-17(12-20)21-18;12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;9-5-6-1-3-7(4-2-6)8(10)11/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-10,23-24H,(H2,19,21)(H2,20,22);1-10H,(H3,19,20)(H3,21,22);2-11H;1-12H;1-7H;1-5,10-11H
InChIKeyNZAHFOJYGTWSBT-UHFFFAOYSA-N
MW1952.71 g/mol
LogP21.11
Rot. Bonds24

About 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide

5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide (PubChem CID 172929526) has the molecular formula C110H88BBrN14O16 and a molecular weight of 1952.71 g/mol. Its IUPAC name is 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide.

Molecular Properties

Compound Name5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
PubChem CID172929526
Molecular FormulaC110H88BBrN14O16
Molecular Weight1952.71 g/mol
Exact Mass1950.58
IUPAC Name5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)o3)cc2)cc1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)o1.O=Cc1ccc(-c2ccc(-c3ccc(C=O)o3)cc2)cc1.O=Cc1ccc(-c2ccc(Br)cc2)o1.O=Cc1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)o3)cc2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)cc1
InChIInChI=1S/C20H20N4O3.C18H16N4O3.C18H16N4O.C18H10N2O.C18H12O3.C11H7BrO2.C7H7BO3/c1-25-23-19(21)16-9-5-14(6-10-16)13-3-7-15(8-4-13)17-11-12-18(27-17)20(22)24-26-2;19-17(21-23)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(25-15)18(20)22-24;19-17(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(23-15)18(21)22;1-20-16-8-6-14(7-9-16)13-2-4-15(5-3-13)18-11-10-17(12-19)21-18;19-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)18-10-9-17(12-20)21-18;12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;9-5-6-1-3-7(4-2-6)8(10)11/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-10,23-24H,(H2,19,21)(H2,20,22);1-10H,(H3,19,20)(H3,21,22);2-11H;1-12H;1-7H;1-5,10-11H
InChIKeyNZAHFOJYGTWSBT-UHFFFAOYSA-N
XLogP21.11
TPSA527.91 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.71
LogP ≤ 521.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The IUPAC name of 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide (CID 172929526) is 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide.
What is the SMILES notation for 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The canonical SMILES for 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide is CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)o3)cc2)cc1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)o1.O=Cc1ccc(-c2ccc(-c3ccc(C=O)o3)cc2)cc1.O=Cc1ccc(-c2ccc(Br)cc2)o1.O=Cc1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)o3)cc2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])o3)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
The InChIKey is NZAHFOJYGTWSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3.C18H16N4O3.C18H16N4O.C18H10N2O.C18H12O3.C11H7BrO2.C7H7BO3/c1-25-23-19(21)16-9-5-14(6-10-16)13-3-7-15(8-4-13)17-11-12-18(27-17)20(22)24-26-2;19-17(21-23)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(25-15)18(20)22-24;19-17(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-16(23-15)18(21)22;1-20-16-8-6-14(7-9-16)13-2-4-15(5-3-13)18-11-10-17(12-19)21-18;19-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)18-10-9-17(12-20)21-18;12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;9-5-6-1-3-7(4-2-6)8(10)11/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-10,23-24H,(H2,19,21)(H2,20,22);1-10H,(H3,19,20)(H3,21,22);2-11H;1-12H;1-7H;1-5,10-11H.
What are the key properties of 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide?
5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide has a molecular weight of 1952.71 g/mol, XLogP of 21.11, 24 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)furan-2-carbaldehyde;5-[4-(4-carbamimidoylphenyl)phenyl]furan-2-carboximidamide;(4-formylphenyl)boronic acid;5-[4-(4-formylphenyl)phenyl]furan-2-carbaldehyde;N'-hydroxy-5-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide;5-[4-(4-isocyanophenyl)phenyl]furan-2-carbonitrile;N'-methoxy-5-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide is sourced from PubChem (CID 172929526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).