1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C22H22Cl2N2O4 — CID 60568694

IUPAC1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C22H22Cl2N2O4/c23-14-6-7-19(24)20(11-14)26-9-8-18(22(26)28)21(27)25-15-3-1-4-16(12-15)30-13-17-5-2-10-29-17/h1,3-4,6-7,11-12,17-18H,2,5,8-10,13H2,(H,25,27)
InChIKeyDBVDXYFNZGXCEC-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.54
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 60568694) has the molecular formula C22H22Cl2N2O4 and a molecular weight of 449.33 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID60568694
Molecular FormulaC22H22Cl2N2O4
Molecular Weight449.33 g/mol
Exact Mass448.10
IUPAC Name1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C22H22Cl2N2O4/c23-14-6-7-19(24)20(11-14)26-9-8-18(22(26)28)21(27)25-15-3-1-4-16(12-15)30-13-17-5-2-10-29-17/h1,3-4,6-7,11-12,17-18H,2,5,8-10,13H2,(H,25,27)
InChIKeyDBVDXYFNZGXCEC-UHFFFAOYSA-N
XLogP4.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
(4S)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51934373
(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51934372
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
CID 30822278
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 60568694) is 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)C1CCN(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is DBVDXYFNZGXCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4/c23-14-6-7-19(24)20(11-14)26-9-8-18(22(26)28)21(27)25-15-3-1-4-16(12-15)30-13-17-5-2-10-29-17/h1,3-4,6-7,11-12,17-18H,2,5,8-10,13H2,(H,25,27).
What are the key properties of 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 449.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60568694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).