2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide

C14H18N2O — CID 71624225

IUPAC2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESNc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8,15H2,(H,16,17)/t9-,10+,13+/m1/s1
InChIKeyNWPREPOJDSJBJV-NRUUGDAUSA-N
MW230.31 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide

2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 71624225) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID71624225
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESNc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8,15H2,(H,16,17)/t9-,10+,13+/m1/s1
InChIKeyNWPREPOJDSJBJV-NRUUGDAUSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.19
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-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
3-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-nitrobenzamide
CID 115549152
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[bis(4-hydroxyphenyl)methyl]benzamide
CID 67780844
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 71624225) is 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide is Nc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is NWPREPOJDSJBJV-NRUUGDAUSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8,15H2,(H,16,17)/t9-,10+,13+/m1/s1.
What are the key properties of 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 71624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).