N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide

C22H25ClN2O2 — CID 51338064

IUPACN-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-16(26)24-21(18-9-11-19(23)12-10-18)15-22(27)25-13-5-8-20(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,24,26)
InChIKeyFXJMIAZOGSDFKG-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.14
Rot. Bonds6

About N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide

N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide (PubChem CID 51338064) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
PubChem CID51338064
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O2/c1-16(26)24-21(18-9-11-19(23)12-10-18)15-22(27)25-13-5-8-20(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,24,26)
InChIKeyFXJMIAZOGSDFKG-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 49048926
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
CID 124682286
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 119436675
N-[1-(4-chlorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 42931935
2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119648763
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide (CID 51338064) is N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCCC1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide?
The InChIKey is FXJMIAZOGSDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(26)24-21(18-9-11-19(23)12-10-18)15-22(27)25-13-5-8-20(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,24,26).
What are the key properties of N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide?
N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide has a molecular weight of 384.91 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 51338064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).