N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide

C23H27FN2O2 — CID 110623880

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C23H27FN2O2/c1-17-6-2-3-7-20(17)22(27)12-13-23(28)25-16-21(26-14-4-5-15-26)18-8-10-19(24)11-9-18/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28)
InChIKeyZWVJGHFMJCNYLP-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110623880) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110623880
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C23H27FN2O2/c1-17-6-2-3-7-20(17)22(27)12-13-23(28)25-16-21(26-14-4-5-15-26)18-8-10-19(24)11-9-18/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28)
InChIKeyZWVJGHFMJCNYLP-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide
CID 51731084
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide (CID 110623880) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide is Cc1ccccc1C(=O)CCC(=O)NCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is ZWVJGHFMJCNYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17-6-2-3-7-20(17)22(27)12-13-23(28)25-16-21(26-14-4-5-15-26)18-8-10-19(24)11-9-18/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 382.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110623880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).