N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide

C16H20N2O2 — CID 98659475

IUPACN-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20N2O2/c1-10(14-9-11-6-7-12(14)8-11)17-18-16(20)13-4-2-3-5-15(13)19/h2-5,11-12,14,19H,6-9H2,1H3,(H,18,20)/b17-10-/t11-,12-,14+/m0/s1
InChIKeyFENJDODVLIIMQQ-UUMQHJJASA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds3

About N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide

N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide (PubChem CID 98659475) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
PubChem CID98659475
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20N2O2/c1-10(14-9-11-6-7-12(14)8-11)17-18-16(20)13-4-2-3-5-15(13)19/h2-5,11-12,14,19H,6-9H2,1H3,(H,18,20)/b17-10-/t11-,12-,14+/m0/s1
InChIKeyFENJDODVLIIMQQ-UUMQHJJASA-N
XLogP2.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
CID 3604232
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
N-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 129439872
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 6949140
N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
CID 11895622
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 129440050
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 7308856

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide (CID 98659475) is N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide is C/C(=N/NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide?
The InChIKey is FENJDODVLIIMQQ-UUMQHJJASA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(14-9-11-6-7-12(14)8-11)17-18-16(20)13-4-2-3-5-15(13)19/h2-5,11-12,14,19H,6-9H2,1H3,(H,18,20)/b17-10-/t11-,12-,14+/m0/s1.
What are the key properties of N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide?
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 98659475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).