N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide

C23H18BrN3O2 — CID 136865247

IUPACN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H18BrN3O2/c24-18-10-11-21-20(12-18)17(13-25-21)14-26-27-23(28)19-8-4-5-9-22(19)29-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyADHXQCDQIUNTNH-WGARJPEWSA-N
MW448.32 g/mol
LogP5.27
Rot. Bonds6

About N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide

N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 136865247) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID136865247
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H18BrN3O2/c24-18-10-11-21-20(12-18)17(13-25-21)14-26-27-23(28)19-8-4-5-9-22(19)29-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyADHXQCDQIUNTNH-WGARJPEWSA-N
XLogP5.27
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 6874271
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6297254
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide (CID 136865247) is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is ADHXQCDQIUNTNH-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-18-10-11-21-20(12-18)17(13-25-21)14-26-27-23(28)19-8-4-5-9-22(19)29-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28)/b26-14-.
What are the key properties of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 448.32 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 136865247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).