3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide

C21H27FN2O — CID 109024669

IUPAC3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(C)N(CCC(=O)NCCc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C21H27FN2O/c1-17(2)24(16-18-8-4-3-5-9-18)15-13-21(25)23-14-12-19-10-6-7-11-20(19)22/h3-11,17H,12-16H2,1-2H3,(H,23,25)
InChIKeyLXKXPLQTESWEQM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.79
Rot. Bonds9

About 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide

3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 109024669) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID109024669
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(C)N(CCC(=O)NCCc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C21H27FN2O/c1-17(2)24(16-18-8-4-3-5-9-18)15-13-21(25)23-14-12-19-10-6-7-11-20(19)22/h3-11,17H,12-16H2,1-2H3,(H,23,25)
InChIKeyLXKXPLQTESWEQM-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 109024669) is 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide is CC(C)N(CCC(=O)NCCc1ccccc1F)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is LXKXPLQTESWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17(2)24(16-18-8-4-3-5-9-18)15-13-21(25)23-14-12-19-10-6-7-11-20(19)22/h3-11,17H,12-16H2,1-2H3,(H,23,25).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 342.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109024669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).