2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide

C20H17BrN2O4 — CID 17047939

IUPAC2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyOHVBUCMYWHAPJD-WSDLNYQXSA-N
MW429.27 g/mol
LogP4.39
Rot. Bonds7

About 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide

2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide (PubChem CID 17047939) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
PubChem CID17047939
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Name2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1
InChIInChI=1S/C20H17BrN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyOHVBUCMYWHAPJD-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

2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047941
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
3-[(4-fluorobenzoyl)amino]-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047964
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]butanamide
CID 17047940
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide (CID 17047939) is 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide is COc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1.
What is the InChIKey of 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The InChIKey is OHVBUCMYWHAPJD-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide 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 2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 17047939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).