2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate

C10H11ClFNO2 — CID 23548435

IUPAC2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13-10(14)15-5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyBWQCVDMDKQRFKQ-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate

2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate (PubChem CID 23548435) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate
PubChem CID23548435
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13-10(14)15-5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyBWQCVDMDKQRFKQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
CID 12839
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
CID 12843
Carbamic acid, 3-(o-chlorophenyl)propyl ester
CID 49096
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736788
2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548434
2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548436
2-(2-chloro-6-fluorophenyl)ethyl N-methylcarbamate
CID 23548437
1-(2-fluorophenyl)propan-2-yl N-methylcarbamate
CID 123818149
1-(4-fluorophenyl)propan-2-yl N-methylcarbamate
CID 123868321
2-(4-fluorophenyl)ethyl N-methylcarbamate
CID 127530181
[3-chloro-3-(2-fluorophenyl)propyl] N-methylcarbamate
CID 134564055

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate (CID 23548435) is 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate?
The InChIKey is BWQCVDMDKQRFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13-10(14)15-5-4-7-2-3-8(12)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate?
2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate has a molecular weight of 231.65 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate is sourced from PubChem (CID 23548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).