N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide

C15H19FN2O — CID 70497343

IUPACN-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide
SMILESN[C@]12CCC[C@](NC(=O)c3cccc(F)c3)(CC1)C2
InChIInChI=1S/C15H19FN2O/c16-12-4-1-3-11(9-12)13(19)18-15-6-2-5-14(17,10-15)7-8-15/h1,3-4,9H,2,5-8,10,17H2,(H,18,19)/t14-,15+/m1/s1
InChIKeyNIWAKPCNWODWLC-CABCVRRESA-N
MW262.33 g/mol
LogP2.36
Rot. Bonds2

About N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide

N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide (PubChem CID 70497343) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide
PubChem CID70497343
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide
SMILESN[C@]12CCC[C@](NC(=O)c3cccc(F)c3)(CC1)C2
InChIInChI=1S/C15H19FN2O/c16-12-4-1-3-11(9-12)13(19)18-15-6-2-5-14(17,10-15)7-8-15/h1,3-4,9H,2,5-8,10,17H2,(H,18,19)/t14-,15+/m1/s1
InChIKeyNIWAKPCNWODWLC-CABCVRRESA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide
CID 130285049
2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(3-fluorophenyl)ethanone;benzyl N-[5-[2-(3-fluorophenyl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]carbamate
CID 159744365
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
CID 166317351
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
CID 70498439
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
3-fluoro-N-hydroxybenzamide
CID 5082377
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide?
The IUPAC name of N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide (CID 70497343) is N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide is N[C@]12CCC[C@](NC(=O)c3cccc(F)c3)(CC1)C2.
What is the InChIKey of N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide?
The InChIKey is NIWAKPCNWODWLC-CABCVRRESA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-4-1-3-11(9-12)13(19)18-15-6-2-5-14(17,10-15)7-8-15/h1,3-4,9H,2,5-8,10,17H2,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide?
N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide is sourced from PubChem (CID 70497343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).