2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide

C13H18ClFN2O — CID 132964109

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-17(2)8-4-7-16-13(18)9-10-11(14)5-3-6-12(10)15/h3,5-6H,4,7-9H2,1-2H3,(H,16,18)
InChIKeyASJVLOUWMBAXRI-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.09
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 132964109) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID132964109
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-17(2)8-4-7-16-13(18)9-10-11(14)5-3-6-12(10)15/h3,5-6H,4,7-9H2,1-2H3,(H,16,18)
InChIKeyASJVLOUWMBAXRI-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-(3-methoxypropyl)-1-methylthiourea
CID 9329015
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide (CID 132964109) is 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is ASJVLOUWMBAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-17(2)8-4-7-16-13(18)9-10-11(14)5-3-6-12(10)15/h3,5-6H,4,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 272.75 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 132964109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).