4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide

C20H19BrN4O3 — CID 135671924

IUPAC4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c21-15-7-5-14(6-8-15)19(26)23-22-18-16-3-1-2-4-17(16)25(20(18)27)13-24-9-11-28-12-10-24/h1-8,27H,9-13H2/b23-22+
InChIKeySQDLAIJTAYFWON-GHVJWSGMSA-N
MW443.30 g/mol
LogP4.32
Rot. Bonds4

About 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide

4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide (PubChem CID 135671924) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
PubChem CID135671924
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c21-15-7-5-14(6-8-15)19(26)23-22-18-16-3-1-2-4-17(16)25(20(18)27)13-24-9-11-28-12-10-24/h1-8,27H,9-13H2/b23-22+
InChIKeySQDLAIJTAYFWON-GHVJWSGMSA-N
XLogP4.32
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.32
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

4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminobenzamide
CID 1366014
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
CID 4311773
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 3624940
2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 137175115
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
CID 135537768
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The IUPAC name of 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide (CID 135671924) is 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The canonical SMILES for 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The InChIKey is SQDLAIJTAYFWON-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c21-15-7-5-14(6-8-15)19(26)23-22-18-16-3-1-2-4-17(16)25(20(18)27)13-24-9-11-28-12-10-24/h1-8,27H,9-13H2/b23-22+.
What are the key properties of 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide has a molecular weight of 443.30 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 135671924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).