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

C16H18Cl2N2O — CID 6949140

IUPACN-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H18Cl2N2O/c1-9(14-7-10-2-3-11(14)6-10)19-20-16(21)13-5-4-12(17)8-15(13)18/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H,20,21)/b19-9-/t10-,11-,14-/m0/s1
InChIKeyPCGSMNRXCOXARN-ZCWXBKDSSA-N
MW325.24 g/mol
LogP4.54
Rot. Bonds3

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

N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide (PubChem CID 6949140) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
PubChem CID6949140
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H18Cl2N2O/c1-9(14-7-10-2-3-11(14)6-10)19-20-16(21)13-5-4-12(17)8-15(13)18/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H,20,21)/b19-9-/t10-,11-,14-/m0/s1
InChIKeyPCGSMNRXCOXARN-ZCWXBKDSSA-N
XLogP4.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.54
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-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 129439872
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
CID 3604232
N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 98293049
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2,4-dichlorobenzamide
CID 129438748
(2R)-N-[(E)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 98906702
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 3454323
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]-3,4-dimethoxybenzamide
CID 7459310
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide (CID 6949140) is N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide?
The InChIKey is PCGSMNRXCOXARN-ZCWXBKDSSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-9(14-7-10-2-3-11(14)6-10)19-20-16(21)13-5-4-12(17)8-15(13)18/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H,20,21)/b19-9-/t10-,11-,14-/m0/s1.
What are the key properties of N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide?
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide has a molecular weight of 325.24 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide is sourced from PubChem (CID 6949140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).