4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide

C14H18N2O2 — CID 107075411

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NC2CC3CCC2C3)cc1O
InChIInChI=1S/C14H18N2O2/c15-11-4-3-10(7-13(11)17)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6,15H2,(H,16,18)
InChIKeyQVTFLSOFSGKRRL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide

4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide (PubChem CID 107075411) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
PubChem CID107075411
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NC2CC3CCC2C3)cc1O
InChIInChI=1S/C14H18N2O2/c15-11-4-3-10(7-13(11)17)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6,15H2,(H,16,18)
InChIKeyQVTFLSOFSGKRRL-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
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
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide (CID 107075411) is 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide is Nc1ccc(C(=O)NC2CC3CCC2C3)cc1O.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide?
The InChIKey is QVTFLSOFSGKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-11-4-3-10(7-13(11)17)14(18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,17H,1-2,5-6,15H2,(H,16,18).
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide?
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide is sourced from PubChem (CID 107075411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).