N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

C21H21F3N2O2 — CID 146084589

IUPACN-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1c1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C21H21F3N2O2/c1-13(27)25-18(21-16(23)7-3-8-17(21)24)12-20(28)26-10-4-9-19(26)14-5-2-6-15(22)11-14/h2-3,5-8,11,18-19H,4,9-10,12H2,1H3,(H,25,27)
InChIKeyDCFZXCAXKOLHBG-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 146084589) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
PubChem CID146084589
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1c1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C21H21F3N2O2/c1-13(27)25-18(21-16(23)7-3-8-17(21)24)12-20(28)26-10-4-9-19(26)14-5-2-6-15(22)11-14/h2-3,5-8,11,18-19H,4,9-10,12H2,1H3,(H,25,27)
InChIKeyDCFZXCAXKOLHBG-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)-3-oxopropyl]acetamide
CID 86883370
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 92558611
[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(3R)-1-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124682319
(3R)-4-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 126454909
3-[(3R)-1-[(3S)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]piperidin-3-yl]propanoic acid
CID 124682090
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (CID 146084589) is N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCCC1c1cccc(F)c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is DCFZXCAXKOLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-13(27)25-18(21-16(23)7-3-8-17(21)24)12-20(28)26-10-4-9-19(26)14-5-2-6-15(22)11-14/h2-3,5-8,11,18-19H,4,9-10,12H2,1H3,(H,25,27).
What are the key properties of N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 390.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 146084589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).