N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C17H14BrN3O3 — CID 2172304

IUPACN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc(Br)c1O
InChIInChI=1S/C17H14BrN3O3/c1-24-15-7-10(6-13(18)16(15)22)8-20-21-17(23)12-9-19-14-5-3-2-4-11(12)14/h2-9,19,22H,1H3,(H,21,23)
InChIKeyZWLFIRGKDVMXAQ-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.41
Rot. Bonds4

About N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 2172304) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID2172304
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc(Br)c1O
InChIInChI=1S/C17H14BrN3O3/c1-24-15-7-10(6-13(18)16(15)22)8-20-21-17(23)12-9-19-14-5-3-2-4-11(12)14/h2-9,19,22H,1H3,(H,21,23)
InChIKeyZWLFIRGKDVMXAQ-UHFFFAOYSA-N
XLogP3.41
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 2643124
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 135579559
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135683422
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 2172304) is N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc(Br)c1O.
What is the InChIKey of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is ZWLFIRGKDVMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-24-15-7-10(6-13(18)16(15)22)8-20-21-17(23)12-9-19-14-5-3-2-4-11(12)14/h2-9,19,22H,1H3,(H,21,23).
What are the key properties of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 2172304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).