N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide

C18H20Cl2N2O2 — CID 4226999

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=CC1CC2C=CC1C2
InChIInChI=1S/C18H20Cl2N2O2/c19-15-5-6-17(16(20)10-15)24-7-1-2-18(23)22-21-11-14-9-12-3-4-13(14)8-12/h3-6,10-14H,1-2,7-9H2,(H,22,23)
InChIKeyGHARQCWMFLVUPZ-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.47
Rot. Bonds7

About N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 4226999) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID4226999
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=CC1CC2C=CC1C2
InChIInChI=1S/C18H20Cl2N2O2/c19-15-5-6-17(16(20)10-15)24-7-1-2-18(23)22-21-11-14-9-12-3-4-13(14)8-12/h3-6,10-14H,1-2,7-9H2,(H,22,23)
InChIKeyGHARQCWMFLVUPZ-UHFFFAOYSA-N
XLogP4.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide
CID 4135723
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 3266836
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide (CID 4226999) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NN=CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is GHARQCWMFLVUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-15-5-6-17(16(20)10-15)24-7-1-2-18(23)22-21-11-14-9-12-3-4-13(14)8-12/h3-6,10-14H,1-2,7-9H2,(H,22,23).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 367.28 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 4226999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).