2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate

C12H15F2NO3 — CID 79345147

IUPAC2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)OCCO
InChIInChI=1S/C12H15F2NO3/c1-8(15(2)12(17)18-6-5-16)9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyPBWWEYFSNMVJTN-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.09
Rot. Bonds4

About 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate

2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 79345147) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
PubChem CID79345147
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)OCCO
InChIInChI=1S/C12H15F2NO3/c1-8(15(2)12(17)18-6-5-16)9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyPBWWEYFSNMVJTN-UHFFFAOYSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331706
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate (CID 79345147) is 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate is CC(c1ccc(F)c(F)c1)N(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is PBWWEYFSNMVJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8(15(2)12(17)18-6-5-16)9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 259.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 79345147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).