2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C24H32ClN3O — CID 56526680

IUPAC2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCCC(CC)(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O/c1-3-24(4-2,20-10-12-21(25)13-11-20)27-17-23(29)26-16-19-14-15-28(18-19)22-8-6-5-7-9-22/h5-13,19,27H,3-4,14-18H2,1-2H3,(H,26,29)
InChIKeyGWJVKUAXVHHQEK-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.59
Rot. Bonds9

About 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 56526680) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID56526680
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCCC(CC)(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O/c1-3-24(4-2,20-10-12-21(25)13-11-20)27-17-23(29)26-16-19-14-15-28(18-19)22-8-6-5-7-9-22/h5-13,19,27H,3-4,14-18H2,1-2H3,(H,26,29)
InChIKeyGWJVKUAXVHHQEK-UHFFFAOYSA-N
XLogP4.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 78896351
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
CID 146130178
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 56526680) is 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is CCC(CC)(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is GWJVKUAXVHHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-3-24(4-2,20-10-12-21(25)13-11-20)27-17-23(29)26-16-19-14-15-28(18-19)22-8-6-5-7-9-22/h5-13,19,27H,3-4,14-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 413.99 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 56526680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).