ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate

C11H13F2NO2 — CID 60638339

IUPACethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeySYTBFJCJVWMILV-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.77
Rot. Bonds3

About ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate

ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate (PubChem CID 60638339) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
PubChem CID60638339
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeySYTBFJCJVWMILV-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
ethyl 4-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8544178
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
CID 81075854
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate (CID 60638339) is ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate is CCOC(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate?
The InChIKey is SYTBFJCJVWMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-16-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate?
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate has a molecular weight of 229.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate is sourced from PubChem (CID 60638339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).