2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate

C11H14F2N2O2 — CID 79337416

IUPAC2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
SMILESCCNCCOC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-2-14-5-6-17-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyZEPSAJQGWWZJPB-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.12
Rot. Bonds5

About 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate

2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate (PubChem CID 79337416) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
PubChem CID79337416
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
SMILESCCNCCOC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-2-14-5-6-17-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyZEPSAJQGWWZJPB-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
CID 113360062
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate
CID 107896058
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-[[3-[2-[(2,4-difluorophenyl)carbamoyloxy]ethyl]phenyl]methyl]propanedioic acid
CID 69005739
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
2-[[3-[2-[(2,4-difluorophenyl)carbamoyloxy]ethyl]-4-methoxyphenyl]methyl]propanedioic acid
CID 69008246
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate?
The IUPAC name of 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate (CID 79337416) is 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate is CCNCCOC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate?
The InChIKey is ZEPSAJQGWWZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-14-5-6-17-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate?
2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate has a molecular weight of 244.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 79337416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).