benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate

C21H18FNO2 — CID 169472312

IUPACbenzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(F)c2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H18FNO2/c22-20-13-12-17(18-10-4-5-11-19(18)20)9-6-14-23-21(24)25-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24)
InChIKeyIGQYIWLTKAXSJX-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.92
Rot. Bonds5

About benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate

benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate (PubChem CID 169472312) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
PubChem CID169472312
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Namebenzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(F)c2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H18FNO2/c22-20-13-12-17(18-10-4-5-11-19(18)20)9-6-14-23-21(24)25-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24)
InChIKeyIGQYIWLTKAXSJX-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-[3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471497
benzyl N-[3-(4-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169472663
benzyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169472662
2-[3-fluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]acetic acid
CID 169472126
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287
5-chloro-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471866
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate (CID 169472312) is benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(F)c2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate?
The InChIKey is IGQYIWLTKAXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c22-20-13-12-17(18-10-4-5-11-19(18)20)9-6-14-23-21(24)25-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate?
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate has a molecular weight of 335.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).