N-phenylcarbamoyl chloride

C7H6ClNO — CID 576741

IUPACN-phenylcarbamoyl chloride
SMILESO=C(Cl)Nc1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyYSBUANSGDLZTKV-UHFFFAOYSA-N
MW155.58 g/mol
LogP2.46
Rot. Bonds1

About N-phenylcarbamoyl chloride

N-phenylcarbamoyl chloride (PubChem CID 576741) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-phenylcarbamoyl chloride
PubChem CID576741
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC NameN-phenylcarbamoyl chloride
SMILESO=C(Cl)Nc1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyYSBUANSGDLZTKV-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-phenylcarbamoyl chloride?
The IUPAC name of N-phenylcarbamoyl chloride (CID 576741) is N-phenylcarbamoyl chloride.
What is the SMILES notation for N-phenylcarbamoyl chloride?
The canonical SMILES for N-phenylcarbamoyl chloride is O=C(Cl)Nc1ccccc1.
What is the InChIKey of N-phenylcarbamoyl chloride?
The InChIKey is YSBUANSGDLZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10).
What are the key properties of N-phenylcarbamoyl chloride?
N-phenylcarbamoyl chloride has a molecular weight of 155.58 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylcarbamoyl chloride is sourced from PubChem (CID 576741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).