N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C17H23FN2O — CID 63358971

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESNCc1ccc(CNC(=O)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C17H23FN2O/c18-16-7-12(9-19)2-4-14(16)10-20-17(21)8-15-6-11-1-3-13(15)5-11/h2,4,7,11,13,15H,1,3,5-6,8-10,19H2,(H,20,21)
InChIKeyBRRQHSVRTGIXPF-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.73
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 63358971) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID63358971
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESNCc1ccc(CNC(=O)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C17H23FN2O/c18-16-7-12(9-19)2-4-14(16)10-20-17(21)8-15-6-11-1-3-13(15)5-11/h2,4,7,11,13,15H,1,3,5-6,8-10,19H2,(H,20,21)
InChIKeyBRRQHSVRTGIXPF-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32602785
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 63358971) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is NCc1ccc(CNC(=O)CC2CC3CCC2C3)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is BRRQHSVRTGIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-7-12(9-19)2-4-14(16)10-20-17(21)8-15-6-11-1-3-13(15)5-11/h2,4,7,11,13,15H,1,3,5-6,8-10,19H2,(H,20,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 63358971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).