phenyl N-[1-(2-fluorophenyl)ethyl]carbamate

C15H14FNO2 — CID 60630442

IUPACphenyl N-[1-(2-fluorophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c1-11(13-9-5-6-10-14(13)16)17-15(18)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
InChIKeyKPEFUEFXQCAXHR-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.68
Rot. Bonds3

About phenyl N-[1-(2-fluorophenyl)ethyl]carbamate

phenyl N-[1-(2-fluorophenyl)ethyl]carbamate (PubChem CID 60630442) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is phenyl N-[1-(2-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-fluorophenyl)ethyl]carbamate
PubChem CID60630442
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namephenyl N-[1-(2-fluorophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c1-11(13-9-5-6-10-14(13)16)17-15(18)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
InChIKeyKPEFUEFXQCAXHR-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-fluorophenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[1-(2-fluorophenyl)ethyl]carbamate (CID 60630442) is phenyl N-[1-(2-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-fluorophenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[1-(2-fluorophenyl)ethyl]carbamate is CC(NC(=O)Oc1ccccc1)c1ccccc1F.
What is the InChIKey of phenyl N-[1-(2-fluorophenyl)ethyl]carbamate?
The InChIKey is KPEFUEFXQCAXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11(13-9-5-6-10-14(13)16)17-15(18)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18).
What are the key properties of phenyl N-[1-(2-fluorophenyl)ethyl]carbamate?
phenyl N-[1-(2-fluorophenyl)ethyl]carbamate has a molecular weight of 259.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 60630442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).