4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide

C22H20Cl2N2O2 — CID 4284364

IUPAC4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C22H20Cl2N2O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-26-22(27)7-4-12-28-21-11-10-19(23)14-20(21)24/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,26,27)
InChIKeyBUPQNQVULLOXID-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.85
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide

4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide (PubChem CID 4284364) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
PubChem CID4284364
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C22H20Cl2N2O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-26-22(27)7-4-12-28-21-11-10-19(23)14-20(21)24/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,26,27)
InChIKeyBUPQNQVULLOXID-UHFFFAOYSA-N
XLogP5.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.85
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

4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
CID 24538219
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide (CID 4284364) is 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide is CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide?
The InChIKey is BUPQNQVULLOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-26-22(27)7-4-12-28-21-11-10-19(23)14-20(21)24/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,26,27).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide?
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide has a molecular weight of 415.32 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide is sourced from PubChem (CID 4284364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).