2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C19H15BrN2O2S — CID 46498082

IUPAC2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O2S/c20-15-6-3-5-14(11-15)13-24-18-9-2-1-8-17(18)19(23)22-21-12-16-7-4-10-25-16/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyDCYQBZQKTPNMLF-CIAFOILYSA-N
MW415.31 g/mol
LogP4.85
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 46498082) has the molecular formula C19H15BrN2O2S and a molecular weight of 415.31 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID46498082
Molecular FormulaC19H15BrN2O2S
Molecular Weight415.31 g/mol
Exact Mass414.00
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O2S/c20-15-6-3-5-14(11-15)13-24-18-9-2-1-8-17(18)19(23)22-21-12-16-7-4-10-25-16/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyDCYQBZQKTPNMLF-CIAFOILYSA-N
XLogP4.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 54.85
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'}

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
CID 6877293
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 71960184
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 46498082) is 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccs1)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is DCYQBZQKTPNMLF-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15BrN2O2S/c20-15-6-3-5-14(11-15)13-24-18-9-2-1-8-17(18)19(23)22-21-12-16-7-4-10-25-16/h1-12H,13H2,(H,22,23)/b21-12+.
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 415.31 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 46498082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).