N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide

C17H18ClFN2O — CID 108998209

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
SMILESO=C(CNCCc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c18-15-7-5-13(6-8-15)11-21-17(22)12-20-10-9-14-3-1-2-4-16(14)19/h1-8,20H,9-12H2,(H,21,22)
InChIKeySIMZIMWKRRUOPV-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.93
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 108998209) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
PubChem CID108998209
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
SMILESO=C(CNCCc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c18-15-7-5-13(6-8-15)11-21-17(22)12-20-10-9-14-3-1-2-4-16(14)19/h1-8,20H,9-12H2,(H,21,22)
InChIKeySIMZIMWKRRUOPV-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.93
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

2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
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
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715
2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60646650
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide (CID 108998209) is N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide is O=C(CNCCc1ccccc1F)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is SIMZIMWKRRUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-15-7-5-13(6-8-15)11-21-17(22)12-20-10-9-14-3-1-2-4-16(14)19/h1-8,20H,9-12H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 320.80 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 108998209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).