ethyl N-carbonochloridoyl-N-phenylcarbamate

C10H10ClNO3 — CID 54098046

IUPACethyl N-carbonochloridoyl-N-phenylcarbamate
SMILESCCOC(=O)N(C(=O)Cl)c1ccccc1
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)12(9(11)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMYNTXLIXPJMZQK-UHFFFAOYSA-N
MW227.65 g/mol
LogP3.01
Rot. Bonds2

About ethyl N-carbonochloridoyl-N-phenylcarbamate

ethyl N-carbonochloridoyl-N-phenylcarbamate (PubChem CID 54098046) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is ethyl N-carbonochloridoyl-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-carbonochloridoyl-N-phenylcarbamate
PubChem CID54098046
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Nameethyl N-carbonochloridoyl-N-phenylcarbamate
SMILESCCOC(=O)N(C(=O)Cl)c1ccccc1
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)12(9(11)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMYNTXLIXPJMZQK-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl N-(2-aminoacetyl)-N-phenylcarbamate
CID 174322881
ethyl N,N-diphenylcarbamate;isocyanic acid
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ethyl N-nitro-N-phenylcarbamate
CID 69016279
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
CID 123933470
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
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CID 134521705
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl N-[dimethyl-(4-methylphenyl)silyl]-N-phenylcarbamate
CID 71430344
ethyl N-[3-(N-ethoxycarbonylanilino)-4-methylphenyl]-N-phenylcarbamate
CID 154140426
ethyl N-[(4-methylsulfonylphenyl)carbamothioyl]-N-phenylcarbamate
CID 87813803
N,N-dimethylaniline;ethyl 2-aminoacetate
CID 174495467

Frequently Asked Questions

What is the IUPAC name of ethyl N-carbonochloridoyl-N-phenylcarbamate?
The IUPAC name of ethyl N-carbonochloridoyl-N-phenylcarbamate (CID 54098046) is ethyl N-carbonochloridoyl-N-phenylcarbamate.
What is the SMILES notation for ethyl N-carbonochloridoyl-N-phenylcarbamate?
The canonical SMILES for ethyl N-carbonochloridoyl-N-phenylcarbamate is CCOC(=O)N(C(=O)Cl)c1ccccc1.
What is the InChIKey of ethyl N-carbonochloridoyl-N-phenylcarbamate?
The InChIKey is MYNTXLIXPJMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-15-10(14)12(9(11)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl N-carbonochloridoyl-N-phenylcarbamate?
ethyl N-carbonochloridoyl-N-phenylcarbamate has a molecular weight of 227.65 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-carbonochloridoyl-N-phenylcarbamate is sourced from PubChem (CID 54098046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).