2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide

C16H15Cl2FN2O — CID 109006915

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c17-12-2-1-11(15(18)9-12)7-8-20-10-16(22)21-14-5-3-13(19)4-6-14/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyIMLXJYGINNCGLR-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.90
Rot. Bonds6

About 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 109006915) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
PubChem CID109006915
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c17-12-2-1-11(15(18)9-12)7-8-20-10-16(22)21-14-5-3-13(19)4-6-14/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyIMLXJYGINNCGLR-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.90
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-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-(4-fluorophenyl)-2-(2,4,6-trichloroanilino)acetamide
CID 28992739
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide (CID 109006915) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide is O=C(CNCCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is IMLXJYGINNCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c17-12-2-1-11(15(18)9-12)7-8-20-10-16(22)21-14-5-3-13(19)4-6-14/h1-6,9,20H,7-8,10H2,(H,21,22).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 341.21 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 109006915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).