1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea

C18H17N3O3 — CID 88617354

IUPAC1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1cc2ccccc2n1C(=O)c1ccccc1)N(O)C(N)=O
InChIInChI=1S/C18H17N3O3/c1-12(21(24)18(19)23)16-11-14-9-5-6-10-15(14)20(16)17(22)13-7-3-2-4-8-13/h2-12,24H,1H3,(H2,19,23)
InChIKeyJBLXTQHNDLVPPY-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.16
Rot. Bonds3

About 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea

1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea (PubChem CID 88617354) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea
PubChem CID88617354
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1cc2ccccc2n1C(=O)c1ccccc1)N(O)C(N)=O
InChIInChI=1S/C18H17N3O3/c1-12(21(24)18(19)23)16-11-14-9-5-6-10-15(14)20(16)17(22)13-7-3-2-4-8-13/h2-12,24H,1H3,(H2,19,23)
InChIKeyJBLXTQHNDLVPPY-UHFFFAOYSA-N
XLogP3.16
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
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 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea (CID 88617354) is 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea is CC(c1cc2ccccc2n1C(=O)c1ccccc1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is JBLXTQHNDLVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(21(24)18(19)23)16-11-14-9-5-6-10-15(14)20(16)17(22)13-7-3-2-4-8-13/h2-12,24H,1H3,(H2,19,23).
What are the key properties of 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea?
1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 323.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzoylindol-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 88617354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).