N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

C20H25FN2O — CID 109000424

IUPACN-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-16(2)23(15-18-6-4-3-5-7-18)20(24)14-22-13-12-17-8-10-19(21)11-9-17/h3-11,16,22H,12-15H2,1-2H3
InChIKeyPSMWLUNIXLBDAQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.39
Rot. Bonds8

About N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 109000424) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID109000424
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-16(2)23(15-18-6-4-3-5-7-18)20(24)14-22-13-12-17-8-10-19(21)11-9-17/h3-11,16,22H,12-15H2,1-2H3
InChIKeyPSMWLUNIXLBDAQ-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[4-[(4-fluoro-N-propan-2-ylanilino)methyl]phenyl]phenyl]ethylamino]acetic acid
CID 46199672
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (CID 109000424) is N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is PSMWLUNIXLBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-16(2)23(15-18-6-4-3-5-7-18)20(24)14-22-13-12-17-8-10-19(21)11-9-17/h3-11,16,22H,12-15H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 328.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 109000424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).