5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C18H16BrN3O2 — CID 136843563

IUPAC5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-13(19)9-15(17)18(23)22-21-11-12-10-20-16-6-4-3-5-14(12)16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-
InChIKeyWBXDOASDMWWLEA-NHDPSOOVSA-N
MW386.25 g/mol
LogP4.09
Rot. Bonds5

About 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 136843563) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID136843563
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-13(19)9-15(17)18(23)22-21-11-12-10-20-16-6-4-3-5-14(12)16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-
InChIKeyWBXDOASDMWWLEA-NHDPSOOVSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.09
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

5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
3-(4-ethoxy-3-methoxyphenyl)-N-(1H-indol-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1390960
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 136843563) is 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is CCOc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is WBXDOASDMWWLEA-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-13(19)9-15(17)18(23)22-21-11-12-10-20-16-6-4-3-5-14(12)16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-.
What are the key properties of 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 386.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 136843563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).