2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide

C20H25Cl2N3O — CID 45272452

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H25Cl2N3O/c1-14(20(26)23-12-7-13-25(2)3)15-8-4-5-11-18(15)24-19-16(21)9-6-10-17(19)22/h4-6,8-11,14,24H,7,12-13H2,1-3H3,(H,23,26)
InChIKeyUWYFNSWZGGGISG-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.91
Rot. Bonds8

About 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide

2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 45272452) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID45272452
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H25Cl2N3O/c1-14(20(26)23-12-7-13-25(2)3)15-8-4-5-11-18(15)24-19-16(21)9-6-10-17(19)22/h4-6,8-11,14,24H,7,12-13H2,1-3H3,(H,23,26)
InChIKeyUWYFNSWZGGGISG-UHFFFAOYSA-N
XLogP4.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-[(2,6-dichloro-3-methylphenyl)amino]benzamide
CID 24825636
2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropanecarboxamide
CID 2832305
N-(3,5-dichlorophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 3450156
N-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 4880486
4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
CID 9509562
3-{4-[4-(2-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854370
1-(3-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404176
1-(4-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404259
3-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 54758294
N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide
CID 2860054
N-tert-butyl-1-[[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 129626198
N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide;chloride
CID 42883

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide (CID 45272452) is 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide is CC(C(=O)NCCCN(C)C)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is UWYFNSWZGGGISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O/c1-14(20(26)23-12-7-13-25(2)3)15-8-4-5-11-18(15)24-19-16(21)9-6-10-17(19)22/h4-6,8-11,14,24H,7,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 394.35 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 45272452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).