N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide

C20H17BrN2O4 — CID 21370277

IUPACN-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O4/c1-25-19-11-15(12-22-23-20(24)18-3-2-10-26-18)6-9-17(19)27-13-14-4-7-16(21)8-5-14/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyKWQQUYIWOFIFEI-WSDLNYQXSA-N
MW429.27 g/mol
LogP4.39
Rot. Bonds7

About N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide

N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide (PubChem CID 21370277) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
PubChem CID21370277
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC NameN-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O4/c1-25-19-11-15(12-22-23-20(24)18-3-2-10-26-18)6-9-17(19)27-13-14-4-7-16(21)8-5-14/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyKWQQUYIWOFIFEI-WSDLNYQXSA-N
XLogP4.39
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.39
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

methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
CID 9175476
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
1-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
CID 110508757
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126266681
2-(4-bromophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061546
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
2-(4-bromoanilino)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 126370173
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide (CID 21370277) is N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is KWQQUYIWOFIFEI-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-25-19-11-15(12-22-23-20(24)18-3-2-10-26-18)6-9-17(19)27-13-14-4-7-16(21)8-5-14/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide?
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 21370277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).