[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate

C15H20ClN3O4 — CID 13320217

IUPAC[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN(C(=O)N(C)C)CC1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-17-14(20)23-13-9-19(15(21)18(2)3)8-12(13)22-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)
InChIKeyFNDWRKAOKRBPPZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP1.81
Rot. Bonds3

About [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate

[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate (PubChem CID 13320217) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate
PubChem CID13320217
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN(C(=O)N(C)C)CC1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-17-14(20)23-13-9-19(15(21)18(2)3)8-12(13)22-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)
InChIKeyFNDWRKAOKRBPPZ-UHFFFAOYSA-N
XLogP1.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N,N-dimethylazetidine-1-carboxamide
CID 15053378
1-[(3aS,4S,6aR)-4-(4-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(dimethylamino)ethanone
CID 110121493
N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108885205
[1-[1-[3-(4-chlorophenoxy)phenyl]ethyl]piperidin-4-yl] N-methylcarbamate
CID 91525854
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55646263
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide
CID 23558789
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
tert-butyl N-[(2S)-4-[3-(4-chlorophenoxy)azetidin-1-yl]-1-hydroxybutan-2-yl]carbamate
CID 69410725
N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate?
The IUPAC name of [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate (CID 13320217) is [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate.
What is the SMILES notation for [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate?
The canonical SMILES for [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate is CNC(=O)OC1CN(C(=O)N(C)C)CC1Oc1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate?
The InChIKey is FNDWRKAOKRBPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-17-14(20)23-13-9-19(15(21)18(2)3)8-12(13)22-11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,20).
What are the key properties of [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate?
[4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate has a molecular weight of 341.80 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-methylcarbamate is sourced from PubChem (CID 13320217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).