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

C18H17N3O2 — CID 5030390

IUPACN-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-2-12-21-15-11-7-6-10-14(15)16(18(21)23)19-20-17(22)13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+
InChIKeyBTCQBLPVWGOUOF-FMQUCBEESA-N
MW307.35 g/mol
LogP4.68
Rot. Bonds4

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

N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide (PubChem CID 5030390) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
PubChem CID5030390
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-2-12-21-15-11-7-6-10-14(15)16(18(21)23)19-20-17(22)13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+
InChIKeyBTCQBLPVWGOUOF-FMQUCBEESA-N
XLogP4.68
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.68
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

4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
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-nitrobenzamide
CID 135824408
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The IUPAC name of N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide (CID 5030390) is N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The canonical SMILES for N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide is CCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
The InChIKey is BTCQBLPVWGOUOF-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-12-21-15-11-7-6-10-14(15)16(18(21)23)19-20-17(22)13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide?
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide has a molecular weight of 307.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide is sourced from PubChem (CID 5030390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).