cyclopentyl N-(3,4-dichlorophenyl)carbamate

C12H13Cl2NO2 — CID 5110802

IUPACcyclopentyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OC1CCCC1
InChIInChI=1S/C12H13Cl2NO2/c13-10-6-5-8(7-11(10)14)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyCRLXVGQDFVXPOA-UHFFFAOYSA-N
MW274.15 g/mol
LogP4.48
Rot. Bonds2

About cyclopentyl N-(3,4-dichlorophenyl)carbamate

cyclopentyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 5110802) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is cyclopentyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(3,4-dichlorophenyl)carbamate
PubChem CID5110802
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Namecyclopentyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OC1CCCC1
InChIInChI=1S/C12H13Cl2NO2/c13-10-6-5-8(7-11(10)14)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyCRLXVGQDFVXPOA-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
CID 79337796
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
CID 2489222
5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate
CID 43835253
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of cyclopentyl N-(3,4-dichlorophenyl)carbamate (CID 5110802) is cyclopentyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for cyclopentyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is CRLXVGQDFVXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-6-5-8(7-11(10)14)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-(3,4-dichlorophenyl)carbamate?
cyclopentyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 274.15 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 5110802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).