3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide

C16H22N2O — CID 63687523

IUPAC3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H22N2O/c1-10-14(3-2-4-15(10)17)16(19)18-9-13-8-11-5-6-12(13)7-11/h2-4,11-13H,5-9,17H2,1H3,(H,18,19)
InChIKeyDHUZECLGIYYNLT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide

3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide (PubChem CID 63687523) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
PubChem CID63687523
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H22N2O/c1-10-14(3-2-4-15(10)17)16(19)18-9-13-8-11-5-6-12(13)7-11/h2-4,11-13H,5-9,17H2,1H3,(H,18,19)
InChIKeyDHUZECLGIYYNLT-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.74
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

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
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
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
methyl 2-amino-3-(2-bicyclo[2.2.1]heptanylmethylamino)benzoate
CID 115546150
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide (CID 63687523) is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide?
The InChIKey is DHUZECLGIYYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-14(3-2-4-15(10)17)16(19)18-9-13-8-11-5-6-12(13)7-11/h2-4,11-13H,5-9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide?
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide is sourced from PubChem (CID 63687523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).