5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide

C20H17BrN2O3 — CID 46498112

IUPAC5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-7-9-17(26-14)12-22-23-20(24)18-11-16(21)8-10-19(18)25-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyIILQQUDWTHJEEG-WSDLNYQXSA-N
MW413.27 g/mol
LogP4.69
Rot. Bonds6

About 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide

5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 46498112) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID46498112
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-7-9-17(26-14)12-22-23-20(24)18-11-16(21)8-10-19(18)25-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyIILQQUDWTHJEEG-WSDLNYQXSA-N
XLogP4.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 92848012
5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 71960112
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
[4-bromo-2-[[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3395615
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6297254
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
5-methyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 5427041
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide (CID 46498112) is 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide is Cc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)o1.
What is the InChIKey of 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is IILQQUDWTHJEEG-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-14-7-9-17(26-14)12-22-23-20(24)18-11-16(21)8-10-19(18)25-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide?
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 413.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 46498112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).