N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C16H12BrN3O2 — CID 135541710

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)10(7-11)8-19-20-16(22)13-9-18-14-4-2-1-3-12(13)14/h1-9,18,21H,(H,20,22)/b19-8+
InChIKeyONOGRNQSIFOMOP-UFWORHAWSA-N
MW358.20 g/mol
LogP3.40
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 135541710) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID135541710
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)10(7-11)8-19-20-16(22)13-9-18-14-4-2-1-3-12(13)14/h1-9,18,21H,(H,20,22)/b19-8+
InChIKeyONOGRNQSIFOMOP-UFWORHAWSA-N
XLogP3.40
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 135541710) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is ONOGRNQSIFOMOP-UFWORHAWSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-11-5-6-15(21)10(7-11)8-19-20-16(22)13-9-18-14-4-2-1-3-12(13)14/h1-9,18,21H,(H,20,22)/b19-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 135541710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).