5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide

C19H18BrN3O3 — CID 87429816

IUPAC5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCOc1cc(O)c(C(=O)N/N=C(/C)c2cc3ccccc3n2C)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)/b21-11-
InChIKeyHMIICCGUWAUSCK-NHDPSOOVSA-N
MW416.28 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide

5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide (PubChem CID 87429816) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide
PubChem CID87429816
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCOc1cc(O)c(C(=O)N/N=C(/C)c2cc3ccccc3n2C)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)/b21-11-
InChIKeyHMIICCGUWAUSCK-NHDPSOOVSA-N
XLogP3.81
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2,4-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5437236
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526746
CID 123466513
CID 123466513
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
5-bromo-N-[(E)-1-(4,5-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 56966147
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide (CID 87429816) is 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide is COc1cc(O)c(C(=O)N/N=C(/C)c2cc3ccccc3n2C)cc1Br.
What is the InChIKey of 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The InChIKey is HMIICCGUWAUSCK-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)/b21-11-.
What are the key properties of 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide?
5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide has a molecular weight of 416.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-4-methoxy-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 87429816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).