2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

C22H27FN2O — CID 125164934

IUPAC2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)c1
InChIInChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyGRRMELROWAWPMW-OAQYLSRUSA-N
MW354.47 g/mol
LogP3.94
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 125164934) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID125164934
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)c1
InChIInChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyGRRMELROWAWPMW-OAQYLSRUSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
4-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-3-methylbenzamide
CID 74232799
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 125164934) is 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C)c(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is GRRMELROWAWPMW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-9-10-17(2)18(13-16)14-22(26)24-15-21(25-11-5-6-12-25)19-7-3-4-8-20(19)23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 125164934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).