N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C20H25ClN2O2 — CID 43008995

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CC2CCC1C2
InChIInChI=1S/C20H25ClN2O2/c1-12(16-9-13-6-7-14(16)8-13)22-20(25)15-10-19(24)23(11-15)18-5-3-2-4-17(18)21/h2-5,12-16H,6-11H2,1H3,(H,22,25)
InChIKeyLIKMINFUEWDTJX-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43008995) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43008995
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CC2CCC1C2
InChIInChI=1S/C20H25ClN2O2/c1-12(16-9-13-6-7-14(16)8-13)22-20(25)15-10-19(24)23(11-15)18-5-3-2-4-17(18)21/h2-5,12-16H,6-11H2,1H3,(H,22,25)
InChIKeyLIKMINFUEWDTJX-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124824135
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981
(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 124729471
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
(3R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124824222
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
N-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamothioyl]-2-chlorobenzamide
CID 98290832
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 43008995) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LIKMINFUEWDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-12(16-9-13-6-7-14(16)8-13)22-20(25)15-10-19(24)23(11-15)18-5-3-2-4-17(18)21/h2-5,12-16H,6-11H2,1H3,(H,22,25).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43008995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).