N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide

C19H17F2NO2 — CID 102263614

IUPACN-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide
SMILESO=C1C(C(F)(F)C(=O)NCc2ccccc2)=C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C19H17F2NO2/c20-19(21,18(24)22-10-11-4-2-1-3-5-11)15-9-14-12-6-7-13(8-12)16(14)17(15)23/h1-7,9,12-14,16H,8,10H2,(H,22,24)/t12-,13+,14+,16-/m1/s1
InChIKeyYDTAEXJAIXGHAI-ORIJERBGSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds4

About N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide

N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide (PubChem CID 102263614) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide
PubChem CID102263614
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC NameN-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide
SMILESO=C1C(C(F)(F)C(=O)NCc2ccccc2)=C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C19H17F2NO2/c20-19(21,18(24)22-10-11-4-2-1-3-5-11)15-9-14-12-6-7-13(8-12)16(14)17(15)23/h1-7,9,12-14,16H,8,10H2,(H,22,24)/t12-,13+,14+,16-/m1/s1
InChIKeyYDTAEXJAIXGHAI-ORIJERBGSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 86212006
4-[2-(5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl)ethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 144879679
(2S)-N-benzyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenylpropanamide
CID 124717216
N-benzyl-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23314733
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4525398
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968
(1S,2S,3R,4R)-3-amino-N-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 130757036
(1S,2R,6R,7R)-4-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 11332791
8-(benzylamino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 159927010
N-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-phenylacetamide
CID 6543642
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide?
The IUPAC name of N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide (CID 102263614) is N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide.
What is the SMILES notation for N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide?
The canonical SMILES for N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide is O=C1C(C(F)(F)C(=O)NCc2ccccc2)=C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide?
The InChIKey is YDTAEXJAIXGHAI-ORIJERBGSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-19(21,18(24)22-10-11-4-2-1-3-5-11)15-9-14-12-6-7-13(8-12)16(14)17(15)23/h1-7,9,12-14,16H,8,10H2,(H,22,24)/t12-,13+,14+,16-/m1/s1.
What are the key properties of N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide?
N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide has a molecular weight of 329.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoro-2-[(1S,2R,6R,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]acetamide is sourced from PubChem (CID 102263614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).