N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide

C18H18N2O3 — CID 146676960

IUPACN-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cc(CCO)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)
InChIKeyACXGELCLQKZFMQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.34
Rot. Bonds5

About N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide

N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide (PubChem CID 146676960) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide
PubChem CID146676960
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cc(CCO)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)
InChIKeyACXGELCLQKZFMQ-UHFFFAOYSA-N
XLogP2.34
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide (CID 146676960) is N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2cc(CCO)c3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide?
The InChIKey is ACXGELCLQKZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22).
What are the key properties of N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide is sourced from PubChem (CID 146676960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).