ethyl N-[2-(4-fluorophenyl)ethyl]carbamate

C11H14FNO2 — CID 52904890

IUPACethyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)13-8-7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQAYLYXUPKJCEJQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.11
Rot. Bonds4

About ethyl N-[2-(4-fluorophenyl)ethyl]carbamate

ethyl N-[2-(4-fluorophenyl)ethyl]carbamate (PubChem CID 52904890) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl N-[2-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-fluorophenyl)ethyl]carbamate
PubChem CID52904890
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)13-8-7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQAYLYXUPKJCEJQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
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CID 110787279
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
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CID 108902202
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
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N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-fluorophenyl)ethyl]carbamate (CID 52904890) is ethyl N-[2-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-fluorophenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is QAYLYXUPKJCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)13-8-7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of ethyl N-[2-(4-fluorophenyl)ethyl]carbamate?
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 211.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 52904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).