2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide

C17H17FN2O — CID 66396783

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide
SMILESO=C(CNCC1Cc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)20-17(21)11-19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13,19H,9-11H2,(H,20,21)
InChIKeyHLQKJQNSGJTHBM-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.69
Rot. Bonds5

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide (PubChem CID 66396783) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide
PubChem CID66396783
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide
SMILESO=C(CNCC1Cc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)20-17(21)11-19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13,19H,9-11H2,(H,20,21)
InChIKeyHLQKJQNSGJTHBM-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-butylacetamide
CID 66396017
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585441
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-(2-fluorophenyl)ethanol
CID 66395809
2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanamide
CID 66418506
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide (CID 66396783) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide is O=C(CNCC1Cc2ccccc21)Nc1ccccc1F.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide?
The InChIKey is HLQKJQNSGJTHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-3-4-8-16(15)20-17(21)11-19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13,19H,9-11H2,(H,20,21).
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide has a molecular weight of 284.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 66396783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).