benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate

C14H12FNO3 — CID 139616374

IUPACbenzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
SMILESO=C(Nc1cc(F)ccc1O)OCc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-11-6-7-13(17)12(8-11)16-14(18)19-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,18)
InChIKeyGERLHHCEQOQBAZ-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.28
Rot. Bonds3

About benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate

benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate (PubChem CID 139616374) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
PubChem CID139616374
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namebenzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
SMILESO=C(Nc1cc(F)ccc1O)OCc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-11-6-7-13(17)12(8-11)16-14(18)19-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,18)
InChIKeyGERLHHCEQOQBAZ-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
CID 134113794
ditert-butyl 2-[5-fluoro-2-(phenylmethoxycarbonylamino)phenyl]propanedioate
CID 101123837
3-(5-fluoro-2-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 107701737
CID 89044930
CID 89044930
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
benzyl N-(2-bromophenyl)carbamate
CID 4935706

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate?
The IUPAC name of benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate (CID 139616374) is benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate?
The canonical SMILES for benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate is O=C(Nc1cc(F)ccc1O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate?
The InChIKey is GERLHHCEQOQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-6-7-13(17)12(8-11)16-14(18)19-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,18).
What are the key properties of benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate?
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate has a molecular weight of 261.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 139616374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).