methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate

C8H7ClFNO3 — CID 19374487

IUPACmethyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(O)c1F
InChIInChI=1S/C8H7ClFNO3/c1-14-8(13)11-5-3-2-4(9)7(12)6(5)10/h2-3,12H,1H3,(H,11,13)
InChIKeyHFNXMDKKWYCWCZ-UHFFFAOYSA-N
MW219.60 g/mol
LogP2.36
Rot. Bonds1

About methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate

methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate (PubChem CID 19374487) has the molecular formula C8H7ClFNO3 and a molecular weight of 219.60 g/mol. Its IUPAC name is methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate
PubChem CID19374487
Molecular FormulaC8H7ClFNO3
Molecular Weight219.60 g/mol
Exact Mass219.01
IUPAC Namemethyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(O)c1F
InChIInChI=1S/C8H7ClFNO3/c1-14-8(13)11-5-3-2-4(9)7(12)6(5)10/h2-3,12H,1H3,(H,11,13)
InChIKeyHFNXMDKKWYCWCZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.60
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate (CID 19374487) is methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate is COC(=O)Nc1ccc(Cl)c(O)c1F.
What is the InChIKey of methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate?
The InChIKey is HFNXMDKKWYCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO3/c1-14-8(13)11-5-3-2-4(9)7(12)6(5)10/h2-3,12H,1H3,(H,11,13).
What are the key properties of methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate?
methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate has a molecular weight of 219.60 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate is sourced from PubChem (CID 19374487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).