ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate

C12H13ClFNO2 — CID 110479350

IUPACethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H13ClFNO2/c1-2-17-11(16)15-12(5-6-12)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyQKVWKQJTXZKZMK-UHFFFAOYSA-N
MW257.69 g/mol
LogP3.21
Rot. Bonds3

About ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate

ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate (PubChem CID 110479350) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
PubChem CID110479350
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Nameethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C12H13ClFNO2/c1-2-17-11(16)15-12(5-6-12)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyQKVWKQJTXZKZMK-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
CID 110477797
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
benzyl 4-[(2-chloroacetyl)amino]-4-(4-chloro-2-fluorophenyl)piperidine-1-carboxylate
CID 164862844
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
CID 84581564
tert-butyl N-[1-[2-(azidomethyl)-4-chlorophenyl]cyclopropyl]carbamate
CID 142690590
ethyl 2,3,5-trifluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 10363157

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate?
The IUPAC name of ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate (CID 110479350) is ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate?
The canonical SMILES for ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate is CCOC(=O)NC1(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate?
The InChIKey is QKVWKQJTXZKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-2-17-11(16)15-12(5-6-12)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate?
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate has a molecular weight of 257.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 110479350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).