2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

C17H24ClFN2O2 — CID 91792907

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-21-9-6-13(7-10-21)23-11-3-8-20-17(22)12-14-15(18)4-2-5-16(14)19/h2,4-5,13H,3,6-12H2,1H3,(H,20,22)
InChIKeyJXBKKFUPKWSIIU-UHFFFAOYSA-N
MW342.84 g/mol
LogP2.64
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (PubChem CID 91792907) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
PubChem CID91792907
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-21-9-6-13(7-10-21)23-11-3-8-20-17(22)12-14-15(18)4-2-5-16(14)19/h2,4-5,13H,3,6-12H2,1H3,(H,20,22)
InChIKeyJXBKKFUPKWSIIU-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.64
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-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
2-(2-chloro-6-fluorophenyl)-N-[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]acetamide
CID 97061922
2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122565628
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-(3-methoxypropyl)-1-methylthiourea
CID 9329015

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (CID 91792907) is 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is CN1CCC(OCCCNC(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The InChIKey is JXBKKFUPKWSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-21-9-6-13(7-10-21)23-11-3-8-20-17(22)12-14-15(18)4-2-5-16(14)19/h2,4-5,13H,3,6-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide has a molecular weight of 342.84 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is sourced from PubChem (CID 91792907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).