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

C11H13F2NO2 — CID 60725198

IUPACethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)6-10(8)13/h4-6H,3,7H2,1-2H3
InChIKeyAIJRZOBGXFCTAF-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.55
Rot. Bonds3

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

ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate (PubChem CID 60725198) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
PubChem CID60725198
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)6-10(8)13/h4-6H,3,7H2,1-2H3
InChIKeyAIJRZOBGXFCTAF-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate (CID 60725198) is ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is AIJRZOBGXFCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)6-10(8)13/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate?
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 229.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 60725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).