4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide

C22H26Cl2N2O2 — CID 3312356

IUPAC4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCCCOc1ccc(Cl)cc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-2-3-4-5-6-7-14-28-21-13-12-20(24)15-18(21)16-25-26-22(27)17-8-10-19(23)11-9-17/h8-13,15-16H,2-7,14H2,1H3,(H,26,27)
InChIKeyVKQMCTKAXJALFG-UHFFFAOYSA-N
MW421.37 g/mol
LogP6.50
Rot. Bonds11

About 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide (PubChem CID 3312356) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
PubChem CID3312356
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCCCOc1ccc(Cl)cc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-2-3-4-5-6-7-14-28-21-13-12-20(24)15-18(21)16-25-26-22(27)17-8-10-19(23)11-9-17/h8-13,15-16H,2-7,14H2,1H3,(H,26,27)
InChIKeyVKQMCTKAXJALFG-UHFFFAOYSA-N
XLogP6.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 56.50
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'}

Analyze 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 3367560
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169698
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-pentoxyphenyl)methylideneamino]benzamide
CID 56693862
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
N-[(E)-(5-chloro-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 124555287
[4-chloro-2-[(E)-[(3-ethoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate
CID 126316420
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide (CID 3312356) is 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide is CCCCCCCCOc1ccc(Cl)cc1C=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide?
The InChIKey is VKQMCTKAXJALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-2-3-4-5-6-7-14-28-21-13-12-20(24)15-18(21)16-25-26-22(27)17-8-10-19(23)11-9-17/h8-13,15-16H,2-7,14H2,1H3,(H,26,27).
What are the key properties of 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide has a molecular weight of 421.37 g/mol, XLogP of 6.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3312356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).