N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide

C15H15ClN2O2 — CID 100744187

IUPACN-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
SMILESO=C(N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O
InChIInChI=1S/C15H15ClN2O2/c16-12-3-4-13(14(19)7-12)15(20)18-17-8-11-6-9-1-2-10(11)5-9/h1-4,7-11,19H,5-6H2,(H,18,20)/b17-8-/t9-,10-,11-/m1/s1
InChIKeyPEFGCLHCFSXZCW-PVXYUAMGSA-N
MW290.75 g/mol
LogP2.97
Rot. Bonds3

About N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide

N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide (PubChem CID 100744187) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
PubChem CID100744187
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
SMILESO=C(N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O
InChIInChI=1S/C15H15ClN2O2/c16-12-3-4-13(14(19)7-12)15(20)18-17-8-11-6-9-1-2-10(11)5-9/h1-4,7-11,19H,5-6H2,(H,18,20)/b17-8-/t9-,10-,11-/m1/s1
InChIKeyPEFGCLHCFSXZCW-PVXYUAMGSA-N
XLogP2.97
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 18555195
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide
CID 4226999
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-5-chloro-2-hydroxybenzamide
CID 11880265
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 129439488

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide (CID 100744187) is N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide is O=C(N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O.
What is the InChIKey of N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide?
The InChIKey is PEFGCLHCFSXZCW-PVXYUAMGSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-4-13(14(19)7-12)15(20)18-17-8-11-6-9-1-2-10(11)5-9/h1-4,7-11,19H,5-6H2,(H,18,20)/b17-8-/t9-,10-,11-/m1/s1.
What are the key properties of N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide?
N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 100744187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).