cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate

C12H13ClFNO2 — CID 112738809

IUPACcyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1F)OC1CCCC1
InChIInChI=1S/C12H13ClFNO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyPLVJJQZBTSAVME-UHFFFAOYSA-N
MW257.69 g/mol
LogP3.97
Rot. Bonds2

About cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate

cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate (PubChem CID 112738809) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
PubChem CID112738809
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Namecyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1F)OC1CCCC1
InChIInChI=1S/C12H13ClFNO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyPLVJJQZBTSAVME-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
CID 112738527
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
cyclopentyl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
CID 25030692
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate?
The IUPAC name of cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate (CID 112738809) is cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate?
The canonical SMILES for cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1F)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate?
The InChIKey is PLVJJQZBTSAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16).
What are the key properties of cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate?
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate has a molecular weight of 257.69 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate is sourced from PubChem (CID 112738809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).