benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate

C20H16FNO3 — CID 53219805

IUPACbenzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cc(O)cc(F)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16FNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24)
InChIKeyBHRKMPYYGTVGPD-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.95
Rot. Bonds4

About benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate

benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate (PubChem CID 53219805) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
PubChem CID53219805
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Namebenzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cc(O)cc(F)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16FNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24)
InChIKeyBHRKMPYYGTVGPD-UHFFFAOYSA-N
XLogP4.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]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

benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-(3,5-difluorophenyl)carbamate;N-(3,5-difluorophenyl)nitramide
CID 162243406
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-(3-fluoro-5-nitrophenyl)carbamate
CID 125116358
benzyl N-(4-acetylphenyl)carbamate
CID 2994007

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate (CID 53219805) is benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate is O=C(Nc1ccc(-c2cc(O)cc(F)c2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate?
The InChIKey is BHRKMPYYGTVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24).
What are the key properties of benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate?
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate has a molecular weight of 337.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 53219805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).