benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate

C14H12FNO3 — CID 125116618

IUPACbenzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
SMILESO=C(Nc1cccc(O)c1F)OCc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-13-11(7-4-8-12(13)17)16-14(18)19-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,16,18)
InChIKeyUZFLJFOVUHJIDY-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.28
Rot. Bonds3

About benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate

benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate (PubChem CID 125116618) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
PubChem CID125116618
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namebenzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
SMILESO=C(Nc1cccc(O)c1F)OCc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-13-11(7-4-8-12(13)17)16-14(18)19-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,16,18)
InChIKeyUZFLJFOVUHJIDY-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

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Related Compounds

benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
CID 89044930
CID 89044930
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate?
The IUPAC name of benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate (CID 125116618) is benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate?
The canonical SMILES for benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate is O=C(Nc1cccc(O)c1F)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate?
The InChIKey is UZFLJFOVUHJIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-13-11(7-4-8-12(13)17)16-14(18)19-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,16,18).
What are the key properties of benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate?
benzyl N-(2-fluoro-3-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-(2-fluoro-3-hydroxyphenyl)carbamate is sourced from PubChem (CID 125116618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).