methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate

C10H11ClFNO3 — CID 113102971

IUPACmethyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-15-10(14)13-4-5-16-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyJAECVJGTRUJFCB-UHFFFAOYSA-N
MW247.65 g/mol
LogP2.21
Rot. Bonds4

About methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate

methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate (PubChem CID 113102971) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
PubChem CID113102971
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Namemethyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-15-10(14)13-4-5-16-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyJAECVJGTRUJFCB-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112976989
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
CID 146277256
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate (CID 113102971) is methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate is COC(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate?
The InChIKey is JAECVJGTRUJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-15-10(14)13-4-5-16-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate?
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate has a molecular weight of 247.65 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate is sourced from PubChem (CID 113102971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).