N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide

C14H15ClN2O — CID 40554029

IUPACN-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
SMILESO=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-2-11(8-12)14(18)17-16-13-7-9-4-5-10(13)6-9/h1-3,8-10H,4-7H2,(H,17,18)/b16-13-/t9-,10+/m1/s1
InChIKeyOJENRIOVNQIVOW-UUAQCMHYSA-N
MW262.74 g/mol
LogP3.25
Rot. Bonds2

About N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide

N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide (PubChem CID 40554029) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
PubChem CID40554029
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
SMILESO=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-2-11(8-12)14(18)17-16-13-7-9-4-5-10(13)6-9/h1-3,8-10H,4-7H2,(H,17,18)/b16-13-/t9-,10+/m1/s1
InChIKeyOJENRIOVNQIVOW-UUAQCMHYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.25
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-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
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-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98475772
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide?
The IUPAC name of N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide (CID 40554029) is N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide.
What is the SMILES notation for N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide?
The canonical SMILES for N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide is O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide?
The InChIKey is OJENRIOVNQIVOW-UUAQCMHYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-3-1-2-11(8-12)14(18)17-16-13-7-9-4-5-10(13)6-9/h1-3,8-10H,4-7H2,(H,17,18)/b16-13-/t9-,10+/m1/s1.
What are the key properties of N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide?
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide has a molecular weight of 262.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide is sourced from PubChem (CID 40554029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).