N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide

C15H18N2O2 — CID 98289762

IUPACN-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C1/C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-16-13-9-10-6-7-11(13)8-10/h2-5,10-11H,6-9H2,1H3,(H,17,18)/b16-13-/t10-,11-/m1/s1
InChIKeyNXUNHWFVYPSFBF-ARXFZMKXSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds3

About N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide

N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide (PubChem CID 98289762) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
PubChem CID98289762
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C1/C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-16-13-9-10-6-7-11(13)8-10/h2-5,10-11H,6-9H2,1H3,(H,17,18)/b16-13-/t10-,11-/m1/s1
InChIKeyNXUNHWFVYPSFBF-ARXFZMKXSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 98504378
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
CID 98829133
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-(2-bicyclo[2.2.1]heptanylideneamino)cyclopropanecarboxamide
CID 4090822
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6013484

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide (CID 98289762) is N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C1/C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide?
The InChIKey is NXUNHWFVYPSFBF-ARXFZMKXSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-5-3-2-4-12(14)15(18)17-16-13-9-10-6-7-11(13)8-10/h2-5,10-11H,6-9H2,1H3,(H,17,18)/b16-13-/t10-,11-/m1/s1.
What are the key properties of N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide?
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide is sourced from PubChem (CID 98289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).