4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide

C18H16BrN3O2 — CID 4001444

IUPAC4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C18H16BrN3O2/c1-2-11-22-15-6-4-3-5-14(15)16(18(22)24)20-21-17(23)12-7-9-13(19)10-8-12/h3-10,24H,2,11H2,1H3/b21-20+
InChIKeyVBAHVHYLLIWOHB-QZQOTICOSA-N
MW386.25 g/mol
LogP5.44
Rot. Bonds4

About 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide

4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide (PubChem CID 4001444) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
PubChem CID4001444
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C18H16BrN3O2/c1-2-11-22-15-6-4-3-5-14(15)16(18(22)24)20-21-17(23)12-7-9-13(19)10-8-12/h3-10,24H,2,11H2,1H3/b21-20+
InChIKeyVBAHVHYLLIWOHB-QZQOTICOSA-N
XLogP5.44
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 135671924
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide (CID 4001444) is 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide is CCCn1c(O)c(/N=N/C(=O)c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The InChIKey is VBAHVHYLLIWOHB-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-2-11-22-15-6-4-3-5-14(15)16(18(22)24)20-21-17(23)12-7-9-13(19)10-8-12/h3-10,24H,2,11H2,1H3/b21-20+.
What are the key properties of 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide has a molecular weight of 386.25 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide is sourced from PubChem (CID 4001444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).