N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide

C17H13BrN2O4 — CID 6874395

IUPACN-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(COc2ccc(Br)cc2)o1)c1ccco1
InChIInChI=1S/C17H13BrN2O4/c18-12-3-5-13(6-4-12)23-11-15-8-7-14(24-15)10-19-20-17(21)16-2-1-9-22-16/h1-10H,11H2,(H,20,21)/b19-10+
InChIKeySKEBCRTXTZFPTA-VXLYETTFSA-N
MW389.21 g/mol
LogP3.98
Rot. Bonds6

About N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide

N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 6874395) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID6874395
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC NameN-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(COc2ccc(Br)cc2)o1)c1ccco1
InChIInChI=1S/C17H13BrN2O4/c18-12-3-5-13(6-4-12)23-11-15-8-7-14(24-15)10-19-20-17(21)16-2-1-9-22-16/h1-10H,11H2,(H,20,21)/b19-10+
InChIKeySKEBCRTXTZFPTA-VXLYETTFSA-N
XLogP3.98
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(5-bromo-2-furyl)methylene]-5-methyl-2-furohydrazide
CID 5335323
5-bromo-N'-(2-furylmethylene)-2-furohydrazide
CID 5334529
2-(4-Bromophenoxy)-N'-(2-furylmethylene)acetohydrazide
CID 5342482
N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide
CID 950816
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]furan-2-carbohydrazide
CID 9557071
N-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 145993801
N-[(Z)-(4-bromophenyl)methylideneamino]furan-2-carboxamide
CID 5425204
(E)-N'-(4-bromobenzylidene)furan-2-carbohydrazide
CID 6870799
N'-{(E)-[5-(4-bromophenyl)furan-2-yl]methylidene}furan-2-carbohydrazide
CID 9552772
5-(4-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]furan-2-carboxamide
CID 134868310
N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide
CID 760136
5-bromo-N-(furan-2-ylmethylideneamino)furan-2-carboxamide
CID 839920

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide (CID 6874395) is N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(COc2ccc(Br)cc2)o1)c1ccco1.
What is the InChIKey of N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is SKEBCRTXTZFPTA-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c18-12-3-5-13(6-4-12)23-11-15-8-7-14(24-15)10-19-20-17(21)16-2-1-9-22-16/h1-10H,11H2,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).