2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

C21H25FN2O2 — CID 113165811

IUPAC2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-17(25)24(15-7-10-18-8-3-2-4-9-18)16-21(26)23-14-13-19-11-5-6-12-20(19)22/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,23,26)
InChIKeyZTDGOGYOCNKYIM-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.97
Rot. Bonds9

About 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113165811) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113165811
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)NCCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-17(25)24(15-7-10-18-8-3-2-4-9-18)16-21(26)23-14-13-19-11-5-6-12-20(19)22/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,23,26)
InChIKeyZTDGOGYOCNKYIM-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 113164141
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120512997
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113165811) is 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is ZTDGOGYOCNKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-17(25)24(15-7-10-18-8-3-2-4-9-18)16-21(26)23-14-13-19-11-5-6-12-20(19)22/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,23,26).
What are the key properties of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113165811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).