pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate

C12H14Cl2N2O2 — CID 79338111

IUPACpyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)OCC1CCCN1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-4-10(14)11(6-8)16-12(17)18-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyMQPFLPZHOXHADO-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.29
Rot. Bonds3

About pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate

pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate (PubChem CID 79338111) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Namepyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
PubChem CID79338111
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Namepyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)OCC1CCCN1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-4-10(14)11(6-8)16-12(17)18-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyMQPFLPZHOXHADO-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
2-phenylbenzoic acid;[(2S)-pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
CID 121411230
N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365224
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate (CID 79338111) is pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Cl)OCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate?
The InChIKey is MQPFLPZHOXHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-3-4-10(14)11(6-8)16-12(17)18-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17).
What are the key properties of pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate?
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate has a molecular weight of 289.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 79338111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).