N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C18H22FNO2 — CID 2975074

IUPACN-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccc(F)cc3)(CC1=O)C2(C)C
InChIInChI=1S/C18H22FNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-4-6-13(19)7-5-12/h4-7H,8-11H2,1-3H3,(H,20,22)
InChIKeyLRUWSXPCOBBAIV-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.23
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2975074) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2975074
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccc(F)cc3)(CC1=O)C2(C)C
InChIInChI=1S/C18H22FNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-4-6-13(19)7-5-12/h4-7H,8-11H2,1-3H3,(H,20,22)
InChIKeyLRUWSXPCOBBAIV-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

N-benzyl-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 2604336
N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2951199
4-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898163
N-(2-chlorobenzyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2950440
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810893
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 36403752
(1S,5R)-N-[(3,5-difluorophenyl)methyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
CID 127040565
3-((3aS,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3,5,7-trioxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)-N-(3-fluorobenzyl)propanamide
CID 70680151
3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2950385
N,N-dibenzyl-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide
CID 2921356
4,7,7-trimethyl-N-(4-methylbenzyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501
N-(4-((4,7,7-Trimethyl-3-Oxobicyclo[2.2.1]Heptan-2-Ylidene)Methyl)Benzyl)Acrylamide
CID 53929668

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2975074) is N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCc3ccc(F)cc3)(CC1=O)C2(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LRUWSXPCOBBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-4-6-13(19)7-5-12/h4-7H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2975074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).