2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate

C13H18FNO3 — CID 79346125

IUPAC2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
SMILESCCN(C(=O)OCCO)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-3-15(13(17)18-9-8-16)10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLLOUFFJFTQAFTI-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.34
Rot. Bonds5

About 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate

2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 79346125) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
PubChem CID79346125
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
SMILESCCN(C(=O)OCCO)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-3-15(13(17)18-9-8-16)10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLLOUFFJFTQAFTI-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]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

N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate (CID 79346125) is 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate is CCN(C(=O)OCCO)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is LLOUFFJFTQAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-15(13(17)18-9-8-16)10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate?
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 255.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 79346125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).