2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate

C13H16Cl2N2O2 — CID 114796625

IUPAC2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCC1CCNC1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(7-12(11)15)17-13(18)19-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyCWXOCSYUEBBQBB-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.54
Rot. Bonds4

About 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate

2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 114796625) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID114796625
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCC1CCNC1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(7-12(11)15)17-13(18)19-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyCWXOCSYUEBBQBB-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67243293
2-pyrrolidin-3-ylethyl N-methylcarbamate
CID 114796629
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
CID 79720369
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682947
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate (CID 114796625) is 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OCCC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is CWXOCSYUEBBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(7-12(11)15)17-13(18)19-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18).
What are the key properties of 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate?
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 303.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 114796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).