N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide

C19H19BrN4O3 — CID 3366985

IUPACN-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1c(O)n(CN(C)C)c2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4O3/c1-23(2)11-24-15-9-8-12(20)10-14(15)17(19(24)26)21-22-18(25)13-6-4-5-7-16(13)27-3/h4-10,26H,11H2,1-3H3/b22-21+
InChIKeyHNNXZUVTMTZPAA-QURGRASLSA-N
MW431.29 g/mol
LogP4.56
Rot. Bonds5

About N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide

N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide (PubChem CID 3366985) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
PubChem CID3366985
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC NameN-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1c(O)n(CN(C)C)c2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4O3/c1-23(2)11-24-15-9-8-12(20)10-14(15)17(19(24)26)21-22-18(25)13-6-4-5-7-16(13)27-3/h4-10,26H,11H2,1-3H3/b22-21+
InChIKeyHNNXZUVTMTZPAA-QURGRASLSA-N
XLogP4.56
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
CID 3838803
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
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-[1-(4-bromophenyl)ethylideneamino]oxyacetamide
CID 3617745
5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide
CID 4503174
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
5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
CID 1098357
N-[5-bromo-1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 4640009
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminobenzamide
CID 1366014
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836
1-[5-bromo-1-[(2,5-dimethylphenyl)methyl]-2-hydroxyindol-3-yl]imino-3-(2-methoxyphenyl)thiourea
CID 3484995

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide?
The IUPAC name of N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide (CID 3366985) is N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide.
What is the SMILES notation for N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide?
The canonical SMILES for N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide is COc1ccccc1C(=O)/N=N/c1c(O)n(CN(C)C)c2ccc(Br)cc12.
What is the InChIKey of N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide?
The InChIKey is HNNXZUVTMTZPAA-QURGRASLSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-23(2)11-24-15-9-8-12(20)10-14(15)17(19(24)26)21-22-18(25)13-6-4-5-7-16(13)27-3/h4-10,26H,11H2,1-3H3/b22-21+.
What are the key properties of N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide?
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide has a molecular weight of 431.29 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide is sourced from PubChem (CID 3366985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).