2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone

C12H14ClNO — CID 58053236

IUPAC2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone
SMILESO=C(CNCl)C1CC(c2ccccc2)C1
InChIInChI=1S/C12H14ClNO/c13-14-8-12(15)11-6-10(7-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
InChIKeyYJQYDXNGCLDGEG-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.49
Rot. Bonds4

About 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone

2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone (PubChem CID 58053236) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone
PubChem CID58053236
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone
SMILESO=C(CNCl)C1CC(c2ccccc2)C1
InChIInChI=1S/C12H14ClNO/c13-14-8-12(15)11-6-10(7-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
InChIKeyYJQYDXNGCLDGEG-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone?
The IUPAC name of 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone (CID 58053236) is 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone.
What is the SMILES notation for 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone?
The canonical SMILES for 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone is O=C(CNCl)C1CC(c2ccccc2)C1.
What is the InChIKey of 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone?
The InChIKey is YJQYDXNGCLDGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-14-8-12(15)11-6-10(7-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2.
What are the key properties of 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone?
2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone has a molecular weight of 223.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-1-(3-phenylcyclobutyl)ethanone is sourced from PubChem (CID 58053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).