2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide

C15H19FN2O — CID 63682899

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H19FN2O/c16-12-3-4-13(14(17)7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyAURADSOGNXCZNW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide (PubChem CID 63682899) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
PubChem CID63682899
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H19FN2O/c16-12-3-4-13(14(17)7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyAURADSOGNXCZNW-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-difluorophenyl)urea
CID 124922617
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 63686870
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide (CID 63682899) is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide?
The InChIKey is AURADSOGNXCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-3-4-13(14(17)7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide?
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 63682899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).