N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H19FNO2P — CID 166380076

IUPACN-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCP(C)(=O)c1cc(F)ccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H19FNO2P/c1-21(2,20)15-9-12(17)5-6-14(15)18-16(19)13-8-10-3-4-11(13)7-10/h3-6,9-11,13H,7-8H2,1-2H3,(H,18,19)
InChIKeyDFZDRCNOPLIMPF-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.22
Rot. Bonds3

About N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 166380076) has the molecular formula C16H19FNO2P and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID166380076
Molecular FormulaC16H19FNO2P
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCP(C)(=O)c1cc(F)ccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C16H19FNO2P/c1-21(2,20)15-9-12(17)5-6-14(15)18-16(19)13-8-10-3-4-11(13)7-10/h3-6,9-11,13H,7-8H2,1-2H3,(H,18,19)
InChIKeyDFZDRCNOPLIMPF-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
(1R,2R,4S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98207008

Frequently Asked Questions

What is the IUPAC name of N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 166380076) is N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CP(C)(=O)c1cc(F)ccc1NC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is DFZDRCNOPLIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FNO2P/c1-21(2,20)15-9-12(17)5-6-14(15)18-16(19)13-8-10-3-4-11(13)7-10/h3-6,9-11,13H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 166380076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).