2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

C13H16F2N2O — CID 60843573

IUPAC2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNC1CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c1-8(11-6-9(14)2-5-12(11)15)17-13(18)7-16-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,17,18)
InChIKeyOJGWCSXEMCHSLB-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.89
Rot. Bonds5

About 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (PubChem CID 60843573) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
PubChem CID60843573
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNC1CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c1-8(11-6-9(14)2-5-12(11)15)17-13(18)7-16-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,17,18)
InChIKeyOJGWCSXEMCHSLB-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 64684210
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
2-(cyclopropylamino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 54861999

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (CID 60843573) is 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is CC(NC(=O)CNC1CC1)c1cc(F)ccc1F.
What is the InChIKey of 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The InChIKey is OJGWCSXEMCHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(11-6-9(14)2-5-12(11)15)17-13(18)7-16-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide has a molecular weight of 254.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 60843573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).