phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate

C14H12FNO3 — CID 155120388

IUPACphenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate
SMILESO=C(NCc1cc(O)cc(F)c1)Oc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-11-6-10(7-12(17)8-11)9-16-14(18)19-13-4-2-1-3-5-13/h1-8,17H,9H2,(H,16,18)
InChIKeyNWXMXNJJVZSKRN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.82
Rot. Bonds3

About phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate

phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate (PubChem CID 155120388) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate
PubChem CID155120388
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namephenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate
SMILESO=C(NCc1cc(O)cc(F)c1)Oc1ccccc1
InChIInChI=1S/C14H12FNO3/c15-11-6-10(7-12(17)8-11)9-16-14(18)19-13-4-2-1-3-5-13/h1-8,17H,9H2,(H,16,18)
InChIKeyNWXMXNJJVZSKRN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
CID 151221756
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)carbamate
CID 110780538
phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate?
The IUPAC name of phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate (CID 155120388) is phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate is O=C(NCc1cc(O)cc(F)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate?
The InChIKey is NWXMXNJJVZSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-6-10(7-12(17)8-11)9-16-14(18)19-13-4-2-1-3-5-13/h1-8,17H,9H2,(H,16,18).
What are the key properties of phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate?
phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate has a molecular weight of 261.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 155120388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).