2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide

C19H14Br2N2O2S — CID 6877293

IUPAC2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C19H14Br2N2O2S/c20-14-5-3-4-13(10-14)12-25-17-7-2-1-6-16(17)19(24)23-22-11-15-8-9-18(21)26-15/h1-11H,12H2,(H,23,24)/b22-11+
InChIKeyULGJYBSTTSNTMZ-SSDVNMTOSA-N
MW494.21 g/mol
LogP5.62
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide

2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide (PubChem CID 6877293) has the molecular formula C19H14Br2N2O2S and a molecular weight of 494.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
PubChem CID6877293
Molecular FormulaC19H14Br2N2O2S
Molecular Weight494.21 g/mol
Exact Mass491.91
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C19H14Br2N2O2S/c20-14-5-3-4-13(10-14)12-25-17-7-2-1-6-16(17)19(24)23-22-11-15-8-9-18(21)26-15/h1-11H,12H2,(H,23,24)/b22-11+
InChIKeyULGJYBSTTSNTMZ-SSDVNMTOSA-N
XLogP5.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.21
LogP ≤ 55.62
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)-thiophen-2-ylmethylideneamino]benzamide
CID 46498082
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 71960184
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide (CID 6877293) is 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Br)s1)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide?
The InChIKey is ULGJYBSTTSNTMZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14Br2N2O2S/c20-14-5-3-4-13(10-14)12-25-17-7-2-1-6-16(17)19(24)23-22-11-15-8-9-18(21)26-15/h1-11H,12H2,(H,23,24)/b22-11+.
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide?
2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide has a molecular weight of 494.21 g/mol, XLogP of 5.62, 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)-(5-bromothiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6877293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).