2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide

C17H22ClN3O — CID 53147925

IUPAC2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O/c1-20(2)11-4-10-19-17(22)13-16-5-3-12-21(16)15-8-6-14(18)7-9-15/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22)
InChIKeyJPVCBLOLPZQXNA-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.74
Rot. Bonds7

About 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide

2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 53147925) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID53147925
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O/c1-20(2)11-4-10-19-17(22)13-16-5-3-12-21(16)15-8-6-14(18)7-9-15/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22)
InChIKeyJPVCBLOLPZQXNA-UHFFFAOYSA-N
XLogP2.74
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 71703964
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 113201452
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide (CID 53147925) is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)Cc1cccn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is JPVCBLOLPZQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-20(2)11-4-10-19-17(22)13-16-5-3-12-21(16)15-8-6-14(18)7-9-15/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide?
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 319.84 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 53147925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).