2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide

C19H22ClFN2O2 — CID 60507319

IUPAC2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCN(CCCOc1cccc(Cl)c1)CC(=O)NCc1ccccc1F
InChIInChI=1S/C19H22ClFN2O2/c1-23(10-5-11-25-17-8-4-7-16(20)12-17)14-19(24)22-13-15-6-2-3-9-18(15)21/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyZFFZLOIYTLLYEE-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.50
Rot. Bonds9

About 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide

2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 60507319) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID60507319
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCN(CCCOc1cccc(Cl)c1)CC(=O)NCc1ccccc1F
InChIInChI=1S/C19H22ClFN2O2/c1-23(10-5-11-25-17-8-4-7-16(20)12-17)14-19(24)22-13-15-6-2-3-9-18(15)21/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyZFFZLOIYTLLYEE-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.50
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-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-(3-chlorophenoxy)propyl-methylamino]acetamide
CID 60507253
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 60517240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide (CID 60507319) is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide is CN(CCCOc1cccc(Cl)c1)CC(=O)NCc1ccccc1F.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ZFFZLOIYTLLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-23(10-5-11-25-17-8-4-7-16(20)12-17)14-19(24)22-13-15-6-2-3-9-18(15)21/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 364.85 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60507319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).