2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide

C22H18Br2N4O5 — CID 4583740

IUPAC2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESCOc1ccc(Br)c(C=NNC(=O)c2ccc(C(=O)NN=Cc3cc(OC)ccc3Br)o2)c1
InChIInChI=1S/C22H18Br2N4O5/c1-31-15-3-5-17(23)13(9-15)11-25-27-21(29)19-7-8-20(33-19)22(30)28-26-12-14-10-16(32-2)4-6-18(14)24/h3-12H,1-2H3,(H,27,29)(H,28,30)
InChIKeyMMDBTIFXPLEJPE-UHFFFAOYSA-N
MW578.22 g/mol
LogP4.35
Rot. Bonds8

About 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 4583740) has the molecular formula C22H18Br2N4O5 and a molecular weight of 578.22 g/mol. Its IUPAC name is 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID4583740
Molecular FormulaC22H18Br2N4O5
Molecular Weight578.22 g/mol
Exact Mass575.96
IUPAC Name2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESCOc1ccc(Br)c(C=NNC(=O)c2ccc(C(=O)NN=Cc3cc(OC)ccc3Br)o2)c1
InChIInChI=1S/C22H18Br2N4O5/c1-31-15-3-5-17(23)13(9-15)11-25-27-21(29)19-7-8-20(33-19)22(30)28-26-12-14-10-16(32-2)4-6-18(14)24/h3-12H,1-2H3,(H,27,29)(H,28,30)
InChIKeyMMDBTIFXPLEJPE-UHFFFAOYSA-N
XLogP4.35
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.22
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
CID 143158579
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 4181071
5-bromo-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 135685234
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 51061390
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide (CID 4583740) is 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide is COc1ccc(Br)c(C=NNC(=O)c2ccc(C(=O)NN=Cc3cc(OC)ccc3Br)o2)c1.
What is the InChIKey of 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is MMDBTIFXPLEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N4O5/c1-31-15-3-5-17(23)13(9-15)11-25-27-21(29)19-7-8-20(33-19)22(30)28-26-12-14-10-16(32-2)4-6-18(14)24/h3-12H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 578.22 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 4583740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).