N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C18H22FNO — CID 2972825

IUPACN-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCc3ccc(F)cc3)CCC(C2)C1(C)C
InChIInChI=1S/C18H22FNO/c1-12-17(2,3)14-8-9-18(12,10-14)16(21)20-11-13-4-6-15(19)7-5-13/h4-7,14H,1,8-11H2,2-3H3,(H,20,21)
InChIKeyLHHDXTQGDGBFKR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2972825) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2972825
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCc3ccc(F)cc3)CCC(C2)C1(C)C
InChIInChI=1S/C18H22FNO/c1-12-17(2,3)14-8-9-18(12,10-14)16(21)20-11-13-4-6-15(19)7-5-13/h4-7,14H,1,8-11H2,2-3H3,(H,20,21)
InChIKeyLHHDXTQGDGBFKR-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18858651
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086101
(1S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 7393392
(1R,4S)-3,3-dimethyl-2-methylidene-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086094
(1R,4S)-N-(2-bromo-4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086136
(1R,4S)-N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6562236
(1S,4R)-N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897670
(1S,4R)-N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50937526
(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086081
(1R,4S)-N-(3-acetylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98085454
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
(1S,4S)-N-[(4-fluorophenyl)methyl]-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 98086182

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 2972825) is N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NCc3ccc(F)cc3)CCC(C2)C1(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LHHDXTQGDGBFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-17(2,3)14-8-9-18(12,10-14)16(21)20-11-13-4-6-15(19)7-5-13/h4-7,14H,1,8-11H2,2-3H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2972825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).