2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate

C11H13F2NO3 — CID 79345363

IUPAC2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(F)cc1F)C(=O)OCCO
InChIInChI=1S/C11H13F2NO3/c1-14(11(16)17-5-4-15)7-8-2-3-9(12)6-10(8)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyQRVZASCEYWRAPW-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.53
Rot. Bonds4

About 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate

2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate (PubChem CID 79345363) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
PubChem CID79345363
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(F)cc1F)C(=O)OCCO
InChIInChI=1S/C11H13F2NO3/c1-14(11(16)17-5-4-15)7-8-2-3-9(12)6-10(8)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyQRVZASCEYWRAPW-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate (CID 79345363) is 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate is CN(Cc1ccc(F)cc1F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is QRVZASCEYWRAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-14(11(16)17-5-4-15)7-8-2-3-9(12)6-10(8)13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 245.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 79345363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).