ethane;N-phenylcarbamoyl chloride

C9H12ClNO — CID 91362970

IUPACethane;N-phenylcarbamoyl chloride
SMILESCC.O=C(Cl)Nc1ccccc1
InChIInChI=1S/C7H6ClNO.C2H6/c8-7(10)9-6-4-2-1-3-5-6;1-2/h1-5H,(H,9,10);1-2H3
InChIKeyVZDPFZTYZGEUMY-UHFFFAOYSA-N
MW185.65 g/mol
LogP3.48
Rot. Bonds1

About ethane;N-phenylcarbamoyl chloride

ethane;N-phenylcarbamoyl chloride (PubChem CID 91362970) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is ethane;N-phenylcarbamoyl chloride.

Molecular Properties

Compound Nameethane;N-phenylcarbamoyl chloride
PubChem CID91362970
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Nameethane;N-phenylcarbamoyl chloride
SMILESCC.O=C(Cl)Nc1ccccc1
InChIInChI=1S/C7H6ClNO.C2H6/c8-7(10)9-6-4-2-1-3-5-6;1-2/h1-5H,(H,9,10);1-2H3
InChIKeyVZDPFZTYZGEUMY-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-phenylcarbamoyl chloride?
The IUPAC name of ethane;N-phenylcarbamoyl chloride (CID 91362970) is ethane;N-phenylcarbamoyl chloride.
What is the SMILES notation for ethane;N-phenylcarbamoyl chloride?
The canonical SMILES for ethane;N-phenylcarbamoyl chloride is CC.O=C(Cl)Nc1ccccc1.
What is the InChIKey of ethane;N-phenylcarbamoyl chloride?
The InChIKey is VZDPFZTYZGEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO.C2H6/c8-7(10)9-6-4-2-1-3-5-6;1-2/h1-5H,(H,9,10);1-2H3.
What are the key properties of ethane;N-phenylcarbamoyl chloride?
ethane;N-phenylcarbamoyl chloride has a molecular weight of 185.65 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenylcarbamoyl chloride is sourced from PubChem (CID 91362970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).