N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide

C15H18N2O — CID 4141533

IUPACN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=C2CC3CCC2C3)cc1
InChIInChI=1S/C15H18N2O/c1-10-2-5-12(6-3-10)15(18)17-16-14-9-11-4-7-13(14)8-11/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,18)
InChIKeyWQBGYHBGLIKGAZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.90
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide (PubChem CID 4141533) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
PubChem CID4141533
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=C2CC3CCC2C3)cc1
InChIInChI=1S/C15H18N2O/c1-10-2-5-12(6-3-10)15(18)17-16-14-9-11-4-7-13(14)8-11/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,18)
InChIKeyWQBGYHBGLIKGAZ-UHFFFAOYSA-N
XLogP2.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(dimethylamino)benzamide
CID 3343667
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-5-methylthiophene-3-carboxamide
CID 27451247
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
CID 98829133
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98111329

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide (CID 4141533) is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide is Cc1ccc(C(=O)NN=C2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide?
The InChIKey is WQBGYHBGLIKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-2-5-12(6-3-10)15(18)17-16-14-9-11-4-7-13(14)8-11/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide is sourced from PubChem (CID 4141533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).