N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide

C17H20Cl2N2O2 — CID 4135723

IUPACN-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=C1CC2CCC1C2
InChIInChI=1S/C17H20Cl2N2O2/c18-13-5-6-16(14(19)10-13)23-7-1-2-17(22)21-20-15-9-11-3-4-12(15)8-11/h5-6,10-12H,1-4,7-9H2,(H,21,22)
InChIKeyDZZDJTNKTPEIPV-UHFFFAOYSA-N
MW355.27 g/mol
LogP4.44
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide

N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 4135723) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID4135723
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=C1CC2CCC1C2
InChIInChI=1S/C17H20Cl2N2O2/c18-13-5-6-16(14(19)10-13)23-7-1-2-17(22)21-20-15-9-11-3-4-12(15)8-11/h5-6,10-12H,1-4,7-9H2,(H,21,22)
InChIKeyDZZDJTNKTPEIPV-UHFFFAOYSA-N
XLogP4.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.44
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 98293049
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,4-dichlorophenoxy)butanamide
CID 4226999
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2225539
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 51421239
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40642671
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide (CID 4135723) is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NN=C1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is DZZDJTNKTPEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-13-5-6-16(14(19)10-13)23-7-1-2-17(22)21-20-15-9-11-3-4-12(15)8-11/h5-6,10-12H,1-4,7-9H2,(H,21,22).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide?
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 355.27 g/mol, XLogP of 4.44, 6 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]heptanylideneamino)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 4135723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).