N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide

C21H25FN2O — CID 112506628

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C21H25FN2O/c22-19-11-9-18(10-12-19)20(24-14-4-5-15-24)16-23-21(25)13-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2,(H,23,25)
InChIKeyNIVNLSWRKSWVEH-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide (PubChem CID 112506628) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
PubChem CID112506628
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C21H25FN2O/c22-19-11-9-18(10-12-19)20(24-14-4-5-15-24)16-23-21(25)13-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2,(H,23,25)
InChIKeyNIVNLSWRKSWVEH-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 134024332
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110622313
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110623880
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide (CID 112506628) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The InChIKey is NIVNLSWRKSWVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-19-11-9-18(10-12-19)20(24-14-4-5-15-24)16-23-21(25)13-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide has a molecular weight of 340.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 112506628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).