2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

C19H19ClF3N3O — CID 56500924

IUPAC2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccccc2)C1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O/c20-16-8-4-7-15(19(21,22)23)18(16)25-17(27)12-26-10-9-14(11-26)24-13-5-2-1-3-6-13/h1-8,14,24H,9-12H2,(H,25,27)
InChIKeyXWEBTNBKSVSYAM-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 56500924) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID56500924
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccccc2)C1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O/c20-16-8-4-7-15(19(21,22)23)18(16)25-17(27)12-26-10-9-14(11-26)24-13-5-2-1-3-6-13/h1-8,14,24H,9-12H2,(H,25,27)
InChIKeyXWEBTNBKSVSYAM-UHFFFAOYSA-N
XLogP4.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 55552778
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,6-dichlorophenyl)acetamide
CID 11940729
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26573911
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
N-[2-chloro-6-(trifluoromethyl)phenyl]-1-ethylazepan-4-amine
CID 65074435
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (CID 56500924) is 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(Nc2ccccc2)C1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XWEBTNBKSVSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-16-8-4-7-15(19(21,22)23)18(16)25-17(27)12-26-10-9-14(11-26)24-13-5-2-1-3-6-13/h1-8,14,24H,9-12H2,(H,25,27).
What are the key properties of 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 397.83 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56500924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).