2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C25H26FN3O2 — CID 4879579

IUPAC2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-12-14-21(26)15-13-19)18-25(31)28-23-11-7-6-10-22(23)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyYCKSECBZWGMKBO-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.07
Rot. Bonds9

About 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4879579) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4879579
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-12-14-21(26)15-13-19)18-25(31)28-23-11-7-6-10-22(23)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyYCKSECBZWGMKBO-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

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2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
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CID 11454028
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GW791343
CID 9848160

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4879579) is 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YCKSECBZWGMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-2-29(17-24(30)27-16-19-12-14-21(26)15-13-19)18-25(31)28-23-11-7-6-10-22(23)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4879579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).