2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid

C20H20ClF3N2O3 — CID 53313394

IUPAC2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19ClN2O.C2HF3O2/c19-15-8-2-1-7-14(15)13-18(22)20-16-9-3-4-10-17(16)21-11-5-6-12-21;3-2(4,5)1(6)7/h1-4,7-10H,5-6,11-13H2,(H,20,22);(H,6,7)
InChIKeyDLRAFCNPPFMRFP-UHFFFAOYSA-N
MW428.84 g/mol
LogP4.75
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid

2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 53313394) has the molecular formula C20H20ClF3N2O3 and a molecular weight of 428.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID53313394
Molecular FormulaC20H20ClF3N2O3
Molecular Weight428.84 g/mol
Exact Mass428.11
IUPAC Name2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19ClN2O.C2HF3O2/c19-15-8-2-1-7-14(15)13-18(22)20-16-9-3-4-10-17(16)21-11-5-6-12-21;3-2(4,5)1(6)7/h1-4,7-10H,5-6,11-13H2,(H,20,22);(H,6,7)
InChIKeyDLRAFCNPPFMRFP-UHFFFAOYSA-N
XLogP4.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313367
(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 50985951
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid (CID 53313394) is 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid is O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is DLRAFCNPPFMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.C2HF3O2/c19-15-8-2-1-7-14(15)13-18(22)20-16-9-3-4-10-17(16)21-11-5-6-12-21;3-2(4,5)1(6)7/h1-4,7-10H,5-6,11-13H2,(H,20,22);(H,6,7).
What are the key properties of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 428.84 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).