3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide

C23H18BrN3O2 — CID 137069666

IUPAC3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(Br)c1
InChIInChI=1S/C23H18BrN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-10-9-20(12-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyCHKHIUUDGFAWGR-WGARJPEWSA-N
MW448.32 g/mol
LogP5.27
Rot. Bonds6

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

3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 137069666) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID137069666
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(Br)c1
InChIInChI=1S/C23H18BrN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-10-9-20(12-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyCHKHIUUDGFAWGR-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

3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
3-bromo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6022091
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135455753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (CID 137069666) is 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is CHKHIUUDGFAWGR-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-10-9-20(12-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14-.
What are the key properties of 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide 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 3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 137069666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).