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

C13H15F2NO2 — CID 110479352

IUPACethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2/c1-2-18-12(17)16-8-13(5-6-13)10-4-3-9(14)7-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyAJMLKXAKPLNIBL-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.74
Rot. Bonds4

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

ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate (PubChem CID 110479352) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
PubChem CID110479352
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Nameethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2/c1-2-18-12(17)16-8-13(5-6-13)10-4-3-9(14)7-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyAJMLKXAKPLNIBL-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
CID 84581564
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 119036910
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 84592012
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 166330645
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate (CID 110479352) is ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate is CCOC(=O)NCC1(c2ccc(F)cc2F)CC1.
What is the InChIKey of ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate?
The InChIKey is AJMLKXAKPLNIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-2-18-12(17)16-8-13(5-6-13)10-4-3-9(14)7-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate?
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate has a molecular weight of 255.26 g/mol, XLogP of 2.74, 4 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)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 110479352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).