tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate

C17H22Cl2N2O3 — CID 46406204

IUPACtert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O3/c1-17(2,3)24-15(22)10-21-8-4-5-14(21)16(23)20-13-9-11(18)6-7-12(13)19/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyFUPGNQUPFGLNPM-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate

tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate (PubChem CID 46406204) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
PubChem CID46406204
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Nametert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O3/c1-17(2,3)24-15(22)10-21-8-4-5-14(21)16(23)20-13-9-11(18)6-7-12(13)19/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyFUPGNQUPFGLNPM-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120
1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441795
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406317
tert-butyl (2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylate
CID 115537654
tert-butyl 2-[(4-chloro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127525
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
methyl 1-[2-[2-[(2,4-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47027344
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
N-(2,5-dichlorophenyl)-1-[2-hydroxy-3-(3-nitrophenoxy)propyl]pyrrolidine-2-carboxamide
CID 46405930
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate (CID 46406204) is tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate?
The InChIKey is FUPGNQUPFGLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-17(2,3)24-15(22)10-21-8-4-5-14(21)16(23)20-13-9-11(18)6-7-12(13)19/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate?
tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate has a molecular weight of 373.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate is sourced from PubChem (CID 46406204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).