5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide

C25H26BrN3O2 — CID 92848012

IUPAC5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-13-10-19(11-14-22)17-27-28-25(30)23-16-21(26)12-15-24(23)31-18-20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeyXPSFFEIKCZQPFG-PKAZHMFMSA-N
MW480.41 g/mol
LogP5.64
Rot. Bonds9

About 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide

5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 92848012) has the molecular formula C25H26BrN3O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID92848012
Molecular FormulaC25H26BrN3O2
Molecular Weight480.41 g/mol
Exact Mass479.12
IUPAC Name5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-13-10-19(11-14-22)17-27-28-25(30)23-16-21(26)12-15-24(23)31-18-20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeyXPSFFEIKCZQPFG-PKAZHMFMSA-N
XLogP5.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 55.64
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-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 97413798
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 71960112
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
[4-bromo-2-[[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3395615
[4-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6035159
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide (CID 92848012) is 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is XPSFFEIKCZQPFG-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-13-10-19(11-14-22)17-27-28-25(30)23-16-21(26)12-15-24(23)31-18-20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-.
What are the key properties of 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide?
5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 480.41 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 92848012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).