[2-(chloromethyl)phenyl] N-ethylcarbamate

C10H12ClNO2 — CID 175051095

IUPAC[2-(chloromethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccccc1CCl
InChIInChI=1S/C10H12ClNO2/c1-2-12-10(13)14-9-6-4-3-5-8(9)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyGUXRLEGFGWWHSG-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.53
Rot. Bonds3

About [2-(chloromethyl)phenyl] N-ethylcarbamate

[2-(chloromethyl)phenyl] N-ethylcarbamate (PubChem CID 175051095) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is [2-(chloromethyl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-(chloromethyl)phenyl] N-ethylcarbamate
PubChem CID175051095
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name[2-(chloromethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccccc1CCl
InChIInChI=1S/C10H12ClNO2/c1-2-12-10(13)14-9-6-4-3-5-8(9)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyGUXRLEGFGWWHSG-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl) N-ethylcarbamate
CID 127543525
(2-ethylphenyl) N-propylcarbamate
CID 127559161
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
bis(2-propylphenyl) carbonate
CID 66781525
(2-ethylphenyl) methyl carbonate
CID 67179071
[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847
[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
CID 54093839
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)phenyl] N-ethylcarbamate?
The IUPAC name of [2-(chloromethyl)phenyl] N-ethylcarbamate (CID 175051095) is [2-(chloromethyl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [2-(chloromethyl)phenyl] N-ethylcarbamate?
The canonical SMILES for [2-(chloromethyl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccccc1CCl.
What is the InChIKey of [2-(chloromethyl)phenyl] N-ethylcarbamate?
The InChIKey is GUXRLEGFGWWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-12-10(13)14-9-6-4-3-5-8(9)7-11/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of [2-(chloromethyl)phenyl] N-ethylcarbamate?
[2-(chloromethyl)phenyl] N-ethylcarbamate has a molecular weight of 213.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 175051095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).