3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide

C24H27ClN2O3 — CID 26277066

IUPAC3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1
InChIInChI=1S/C24H27ClN2O3/c1-27(16-20-14-18-4-2-3-5-21(18)30-20)23(29)11-13-24(12-10-22(28)26-24)15-17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,28)/t20-,24+/m0/s1
InChIKeyOHGMMTKYISHJSI-GBXCKJPGSA-N
MW426.94 g/mol
LogP3.77
Rot. Bonds7

About 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide

3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide (PubChem CID 26277066) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide
PubChem CID26277066
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1
InChIInChI=1S/C24H27ClN2O3/c1-27(16-20-14-18-4-2-3-5-21(18)30-20)23(29)11-13-24(12-10-22(28)26-24)15-17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,28)/t20-,24+/m0/s1
InChIKeyOHGMMTKYISHJSI-GBXCKJPGSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42342953
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 45179174
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 26320621
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 45220010
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
N-benzyl-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]propanamide
CID 42541591
N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45241782
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 42538319
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide (CID 26277066) is 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide is CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1.
What is the InChIKey of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide?
The InChIKey is OHGMMTKYISHJSI-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-27(16-20-14-18-4-2-3-5-21(18)30-20)23(29)11-13-24(12-10-22(28)26-24)15-17-6-8-19(25)9-7-17/h2-9,20H,10-16H2,1H3,(H,26,28)/t20-,24+/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide?
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide has a molecular weight of 426.94 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 26277066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).