N-benzyl-N-ethylcarbamoyl chloride

C10H12ClNO — CID 10679448

IUPACN-benzyl-N-ethylcarbamoyl chloride
SMILESCCN(Cc1ccccc1)C(=O)Cl
InChIInChI=1S/C10H12ClNO/c1-2-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyHFWOEYXMOCJUBF-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.87
Rot. Bonds3

About N-benzyl-N-ethylcarbamoyl chloride

N-benzyl-N-ethylcarbamoyl chloride (PubChem CID 10679448) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-benzyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-benzyl-N-ethylcarbamoyl chloride
PubChem CID10679448
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-benzyl-N-ethylcarbamoyl chloride
SMILESCCN(Cc1ccccc1)C(=O)Cl
InChIInChI=1S/C10H12ClNO/c1-2-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyHFWOEYXMOCJUBF-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.87
H-Bond Donors ≤ 50
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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benzyl N-benzyl-N-ethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylcarbamoyl chloride?
The IUPAC name of N-benzyl-N-ethylcarbamoyl chloride (CID 10679448) is N-benzyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-benzyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-benzyl-N-ethylcarbamoyl chloride is CCN(Cc1ccccc1)C(=O)Cl.
What is the InChIKey of N-benzyl-N-ethylcarbamoyl chloride?
The InChIKey is HFWOEYXMOCJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-benzyl-N-ethylcarbamoyl chloride?
N-benzyl-N-ethylcarbamoyl chloride has a molecular weight of 197.67 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 10679448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).