2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C21H25Cl2N3O — CID 78896351

IUPAC2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O/c1-15(19-8-7-17(22)11-20(19)23)24-13-21(27)25-12-16-9-10-26(14-16)18-5-3-2-4-6-18/h2-8,11,15-16,24H,9-10,12-14H2,1H3,(H,25,27)
InChIKeyHACWKYHJITUSGW-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.29
Rot. Bonds7

About 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 78896351) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID78896351
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O/c1-15(19-8-7-17(22)11-20(19)23)24-13-21(27)25-12-16-9-10-26(14-16)18-5-3-2-4-6-18/h2-8,11,15-16,24H,9-10,12-14H2,1H3,(H,25,27)
InChIKeyHACWKYHJITUSGW-UHFFFAOYSA-N
XLogP4.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853656
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56526680
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9253778
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 78896351) is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is CC(NCC(=O)NCC1CCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is HACWKYHJITUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-15(19-8-7-17(22)11-20(19)23)24-13-21(27)25-12-16-9-10-26(14-16)18-5-3-2-4-6-18/h2-8,11,15-16,24H,9-10,12-14H2,1H3,(H,25,27).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 406.36 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 78896351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).