N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide

C23H27FN2O2 — CID 92558611

IUPACN-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-15-6-7-19(13-16(15)2)22-5-4-12-26(22)23(28)14-21(25-17(3)27)18-8-10-20(24)11-9-18/h6-11,13,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22-/m1/s1
InChIKeyYPBIFXMXVJCQFW-FGZHOGPDSA-N
MW382.48 g/mol
LogP4.37
Rot. Bonds5

About N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide

N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide (PubChem CID 92558611) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
PubChem CID92558611
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O2/c1-15-6-7-19(13-16(15)2)22-5-4-12-26(22)23(28)14-21(25-17(3)27)18-8-10-20(24)11-9-18/h6-11,13,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22-/m1/s1
InChIKeyYPBIFXMXVJCQFW-FGZHOGPDSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589
N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 78814395
N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 46957784
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
[(1S)-1-(4-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]urea
CID 32905990
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 93240336
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide (CID 92558611) is N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
The InChIKey is YPBIFXMXVJCQFW-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-15-6-7-19(13-16(15)2)22-5-4-12-26(22)23(28)14-21(25-17(3)27)18-8-10-20(24)11-9-18/h6-11,13,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22-/m1/s1.
What are the key properties of N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide?
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide has a molecular weight of 382.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 92558611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).