N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide

C19H16BrN3O3 — CID 3838803

IUPACN-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2ccccc2OC)c2cc(Br)ccc21
InChIInChI=1S/C19H16BrN3O3/c1-3-10-23-15-9-8-12(20)11-14(15)17(19(23)25)21-22-18(24)13-6-4-5-7-16(13)26-2/h3-9,11,25H,1,10H2,2H3/b22-21+
InChIKeyPOLVQYCSANEVFX-QURGRASLSA-N
MW414.26 g/mol
LogP5.23
Rot. Bonds5

About N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide

N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide (PubChem CID 3838803) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
PubChem CID3838803
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC NameN-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2ccccc2OC)c2cc(Br)ccc21
InChIInChI=1S/C19H16BrN3O3/c1-3-10-23-15-9-8-12(20)11-14(15)17(19(23)25)21-22-18(24)13-6-4-5-7-16(13)26-2/h3-9,11,25H,1,10H2,2H3/b22-21+
InChIKeyPOLVQYCSANEVFX-QURGRASLSA-N
XLogP5.23
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
CID 3366985
5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
CID 1098357
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894651
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-chlorobenzamide
CID 5128171
1-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-(4-methylphenyl)thiourea
CID 4253442
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3716669
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1393033
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
(E)-N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135437899

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide (CID 3838803) is N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide is C=CCn1c(O)c(/N=N/C(=O)c2ccccc2OC)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide?
The InChIKey is POLVQYCSANEVFX-QURGRASLSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-3-10-23-15-9-8-12(20)11-14(15)17(19(23)25)21-22-18(24)13-6-4-5-7-16(13)26-2/h3-9,11,25H,1,10H2,2H3/b22-21+.
What are the key properties of N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide?
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide has a molecular weight of 414.26 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide is sourced from PubChem (CID 3838803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).