N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide

C17H21ClN2O2 — CID 3454323

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)C1CC2CCC1C2
InChIInChI=1S/C17H21ClN2O2/c1-11(16-9-12-2-3-13(16)8-12)19-20-17(21)10-22-15-6-4-14(18)5-7-15/h4-7,12-13,16H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyKKYQXKAUHHWTPS-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 3454323) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID3454323
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)C1CC2CCC1C2
InChIInChI=1S/C17H21ClN2O2/c1-11(16-9-12-2-3-13(16)8-12)19-20-17(21)10-22-15-6-4-14(18)5-7-15/h4-7,12-13,16H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyKKYQXKAUHHWTPS-UHFFFAOYSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.65
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)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 7308856
N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 98293049
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
(2R)-N-[(E)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 98906702
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
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]-3,4-dimethoxybenzamide
CID 7459310
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide (CID 3454323) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide is CC(=NNC(=O)COc1ccc(Cl)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is KKYQXKAUHHWTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11(16-9-12-2-3-13(16)8-12)19-20-17(21)10-22-15-6-4-14(18)5-7-15/h4-7,12-13,16H,2-3,8-10H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 320.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 3454323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).