N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide

C18H21FN2O — CID 109000172

IUPACN-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNCCc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-13-6-5-7-14(2)18(13)21-17(22)12-20-11-10-15-8-3-4-9-16(15)19/h3-9,20H,10-12H2,1-2H3,(H,21,22)
InChIKeyYBEAESGBDMJAIX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.21
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide

N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 109000172) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
PubChem CID109000172
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNCCc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-13-6-5-7-14(2)18(13)21-17(22)12-20-11-10-15-8-3-4-9-16(15)19/h3-9,20H,10-12H2,1-2H3,(H,21,22)
InChIKeyYBEAESGBDMJAIX-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109000255
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60646650
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide (CID 109000172) is N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide is Cc1cccc(C)c1NC(=O)CNCCc1ccccc1F.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is YBEAESGBDMJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-6-5-7-14(2)18(13)21-17(22)12-20-11-10-15-8-3-4-9-16(15)19/h3-9,20H,10-12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 109000172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).