cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate

C13H15Cl2NO2 — CID 168891045

IUPACcyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
SMILESO=C(NCc1c(Cl)cccc1Cl)OC1CCCC1
InChIInChI=1S/C13H15Cl2NO2/c14-11-6-3-7-12(15)10(11)8-16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyDSUKAXOGCQJFCQ-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.16
Rot. Bonds3

About cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate

cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate (PubChem CID 168891045) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
PubChem CID168891045
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Namecyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
SMILESO=C(NCc1c(Cl)cccc1Cl)OC1CCCC1
InChIInChI=1S/C13H15Cl2NO2/c14-11-6-3-7-12(15)10(11)8-16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyDSUKAXOGCQJFCQ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
cyclopentyl N-ethylcarbamate
CID 54482890
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
CID 116558986
cyclohexyl N-ethylcarbamate
CID 22978796
cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 70312043
1,3-dichloro-2-(cyclohexyloxymethyl)benzene;hydrochloride
CID 22937574
2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
CID 28880664

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate?
The IUPAC name of cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate (CID 168891045) is cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate.
What is the SMILES notation for cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate?
The canonical SMILES for cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate is O=C(NCc1c(Cl)cccc1Cl)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate?
The InChIKey is DSUKAXOGCQJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-11-6-3-7-12(15)10(11)8-16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17).
What are the key properties of cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate?
cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate has a molecular weight of 288.17 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate is sourced from PubChem (CID 168891045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).