methyl N-(5-chloro-2-fluorophenyl)carbamate

C8H7ClFNO2 — CID 110778567

IUPACmethyl N-(5-chloro-2-fluorophenyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyBIMKVIHZPQFKSR-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.66
Rot. Bonds1

About methyl N-(5-chloro-2-fluorophenyl)carbamate

methyl N-(5-chloro-2-fluorophenyl)carbamate (PubChem CID 110778567) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is methyl N-(5-chloro-2-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloro-2-fluorophenyl)carbamate
PubChem CID110778567
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Namemethyl N-(5-chloro-2-fluorophenyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyBIMKVIHZPQFKSR-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
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1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloro-2-fluorophenyl)carbamate?
The IUPAC name of methyl N-(5-chloro-2-fluorophenyl)carbamate (CID 110778567) is methyl N-(5-chloro-2-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(5-chloro-2-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(5-chloro-2-fluorophenyl)carbamate is COC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of methyl N-(5-chloro-2-fluorophenyl)carbamate?
The InChIKey is BIMKVIHZPQFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(5-chloro-2-fluorophenyl)carbamate?
methyl N-(5-chloro-2-fluorophenyl)carbamate has a molecular weight of 203.60 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloro-2-fluorophenyl)carbamate is sourced from PubChem (CID 110778567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).