2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate

C20H17FN2O2 — CID 138674272

IUPAC2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H17FN2O2/c21-19-6-2-1-5-18(19)16-9-7-15(8-10-16)11-13-25-20(24)23-17-4-3-12-22-14-17/h1-10,12,14H,11,13H2,(H,23,24)
InChIKeyDONPXJLTRHFXPZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.68
Rot. Bonds5

About 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate

2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate (PubChem CID 138674272) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate
PubChem CID138674272
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H17FN2O2/c21-19-6-2-1-5-18(19)16-9-7-15(8-10-16)11-13-25-20(24)23-17-4-3-12-22-14-17/h1-10,12,14H,11,13H2,(H,23,24)
InChIKeyDONPXJLTRHFXPZ-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 138674290
3-[[4-(2-fluorophenyl)phenyl]methoxymethyl]pyridine;hydrochloride
CID 3066120
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
1-[4-[4-[3-(2-phenylethoxycarbonylamino)-4-pyridinyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67957876
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate
CID 126457966
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
CID 30850510
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate (CID 138674272) is 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate is O=C(Nc1cccnc1)OCCc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate?
The InChIKey is DONPXJLTRHFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-19-6-2-1-5-18(19)16-9-7-15(8-10-16)11-13-25-20(24)23-17-4-3-12-22-14-17/h1-10,12,14H,11,13H2,(H,23,24).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate?
2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate has a molecular weight of 336.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]ethyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 138674272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).