2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide

C25H26BrN3O2 — CID 97413798

IUPAC2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-15-11-19(12-16-22)17-27-28-25(30)23-7-5-6-8-24(23)31-18-20-9-13-21(26)14-10-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeySCOPRPYJCSBIBE-PKAZHMFMSA-N
MW480.41 g/mol
LogP5.64
Rot. Bonds9

About 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide

2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 97413798) has the molecular formula C25H26BrN3O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID97413798
Molecular FormulaC25H26BrN3O2
Molecular Weight480.41 g/mol
Exact Mass479.12
IUPAC Name2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-15-11-19(12-16-22)17-27-28-25(30)23-7-5-6-8-24(23)31-18-20-9-13-21(26)14-10-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeySCOPRPYJCSBIBE-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

5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 92848012
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
CID 86771777
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 97413798) is 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is SCOPRPYJCSBIBE-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H26BrN3O2/c1-3-29(4-2)22-15-11-19(12-16-22)17-27-28-25(30)23-7-5-6-8-24(23)31-18-20-9-13-21(26)14-10-20/h5-17H,3-4,18H2,1-2H3,(H,28,30)/b27-17-.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide 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 2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 97413798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).