ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

C10H11ClFNO2 — CID 62734396

IUPACethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNOXAKHXUEXFSIK-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.73
Rot. Bonds3

About ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 62734396) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID62734396
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Nameethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNOXAKHXUEXFSIK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (CID 62734396) is ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate is CCOC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is NOXAKHXUEXFSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-15-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 231.65 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 62734396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).