(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone

C20H23ClN2O — CID 8599251

IUPAC(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-15(17-10-7-11-18(21)14-17)22-19(16-8-3-2-4-9-16)20(24)23-12-5-6-13-23/h2-4,7-11,14-15,19,22H,5-6,12-13H2,1H3/t15-,19+/m1/s1
InChIKeyJYTDHWKBQQKACS-BEFAXECRSA-N
MW342.87 g/mol
LogP4.35
Rot. Bonds5

About (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone

(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 8599251) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID8599251
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-15(17-10-7-11-18(21)14-17)22-19(16-8-3-2-4-9-16)20(24)23-12-5-6-13-23/h2-4,7-11,14-15,19,22H,5-6,12-13H2,1H3/t15-,19+/m1/s1
InChIKeyJYTDHWKBQQKACS-BEFAXECRSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8636388
2-[1-(2-chlorophenyl)ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 18088205
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8688227
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191
(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599195
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone (CID 8599251) is (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone is C[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is JYTDHWKBQQKACS-BEFAXECRSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15(17-10-7-11-18(21)14-17)22-19(16-8-3-2-4-9-16)20(24)23-12-5-6-13-23/h2-4,7-11,14-15,19,22H,5-6,12-13H2,1H3/t15-,19+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 342.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 8599251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).