benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate

C16H15F2NO3 — CID 68718683

IUPACbenzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1cc(O)c(F)cc1F)OCc1ccccc1
InChIInChI=1S/C16H15F2NO3/c17-13-9-14(18)15(20)8-12(13)6-7-19-16(21)22-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,19,21)
InChIKeyAOZYBWXRJTWIPH-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.14
Rot. Bonds5

About benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate

benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate (PubChem CID 68718683) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
PubChem CID68718683
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Namebenzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1cc(O)c(F)cc1F)OCc1ccccc1
InChIInChI=1S/C16H15F2NO3/c17-13-9-14(18)15(20)8-12(13)6-7-19-16(21)22-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,19,21)
InChIKeyAOZYBWXRJTWIPH-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
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2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate (CID 68718683) is benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate is O=C(NCCc1cc(O)c(F)cc1F)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate?
The InChIKey is AOZYBWXRJTWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c17-13-9-14(18)15(20)8-12(13)6-7-19-16(21)22-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,19,21).
What are the key properties of benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate?
benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate has a molecular weight of 307.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 68718683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).