5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide

C19H18BrN3O2 — CID 136843557

IUPAC5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H18BrN3O2/c1-12(2)25-18-8-7-14(20)9-16(18)19(24)23-22-11-13-10-21-17-6-4-3-5-15(13)17/h3-12,21H,1-2H3,(H,23,24)/b22-11-
InChIKeyIFBRKWVUMSQUIH-JJFYIABZSA-N
MW400.28 g/mol
LogP4.48
Rot. Bonds5

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

5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 136843557) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
PubChem CID136843557
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H18BrN3O2/c1-12(2)25-18-8-7-14(20)9-16(18)19(24)23-22-11-13-10-21-17-6-4-3-5-15(13)17/h3-12,21H,1-2H3,(H,23,24)/b22-11-
InChIKeyIFBRKWVUMSQUIH-JJFYIABZSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.48
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'}

Analyze 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
5-bromo-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 135957632
5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843572
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843558
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-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide (CID 136843557) is 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide?
The InChIKey is IFBRKWVUMSQUIH-JJFYIABZSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12(2)25-18-8-7-14(20)9-16(18)19(24)23-22-11-13-10-21-17-6-4-3-5-15(13)17/h3-12,21H,1-2H3,(H,23,24)/b22-11-.
What are the key properties of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide?
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 400.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 136843557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).