N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide

C13H14FNO — CID 176515195

IUPACN-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
SMILESC=Cc1cc(F)cc(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H14FNO/c1-2-9-5-10(7-11(14)6-9)8-13(16)15-12-3-4-12/h2,5-7,12H,1,3-4,8H2,(H,15,16)
InChIKeyVPJKFAYWSMFSTO-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.29
Rot. Bonds4

About N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide

N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide (PubChem CID 176515195) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
PubChem CID176515195
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC NameN-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
SMILESC=Cc1cc(F)cc(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H14FNO/c1-2-9-5-10(7-11(14)6-9)8-13(16)15-12-3-4-12/h2,5-7,12H,1,3-4,8H2,(H,15,16)
InChIKeyVPJKFAYWSMFSTO-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750
2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 176515222
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-cyclopropyl-2-(3,5-dichlorophenyl)acetamide
CID 110486749
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-(3-bromo-5-ethenylphenoxy)-N-cyclopropylacetamide
CID 123294863
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
tert-butyl 3-[(2S)-3-(3-ethenyl-5-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 176775108
tert-butyl 4-[[2-(3-ethenylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 172648383
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide (CID 176515195) is N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide is C=Cc1cc(F)cc(CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide?
The InChIKey is VPJKFAYWSMFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-9-5-10(7-11(14)6-9)8-13(16)15-12-3-4-12/h2,5-7,12H,1,3-4,8H2,(H,15,16).
What are the key properties of N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide?
N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide has a molecular weight of 219.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide is sourced from PubChem (CID 176515195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).