3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline

C23H30Cl2N2O2 — CID 110505261

IUPAC3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H30Cl2N2O2/c1-3-4-5-6-7-8-9-14-29-23-12-10-18(15-20(23)24)17-26-27-19-11-13-22(28-2)21(25)16-19/h10-13,15-17,27H,3-9,14H2,1-2H3/b26-17+
InChIKeyYALPVWNBDLAYFN-YZSQISJMSA-N
MW437.41 g/mol
LogP7.58
Rot. Bonds13

About 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline

3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline (PubChem CID 110505261) has the molecular formula C23H30Cl2N2O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
PubChem CID110505261
Molecular FormulaC23H30Cl2N2O2
Molecular Weight437.41 g/mol
Exact Mass436.17
IUPAC Name3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H30Cl2N2O2/c1-3-4-5-6-7-8-9-14-29-23-12-10-18(15-20(23)24)17-26-27-19-11-13-22(28-2)21(25)16-19/h10-13,15-17,27H,3-9,14H2,1-2H3/b26-17+
InChIKeyYALPVWNBDLAYFN-YZSQISJMSA-N
XLogP7.58
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline 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

3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841736
[(3-chloro-4-pentoxyphenyl)methylideneamino]thiourea
CID 168534419
N-[(E)-(3-bromo-4-nonoxyphenyl)methylideneamino]-4-methylaniline
CID 110505455
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
1-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-3-ethylthiourea
CID 110508681
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515391
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline (CID 110505261) is 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline is CCCCCCCCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline?
The InChIKey is YALPVWNBDLAYFN-YZSQISJMSA-N. The full InChI is InChI=1S/C23H30Cl2N2O2/c1-3-4-5-6-7-8-9-14-29-23-12-10-18(15-20(23)24)17-26-27-19-11-13-22(28-2)21(25)16-19/h10-13,15-17,27H,3-9,14H2,1-2H3/b26-17+.
What are the key properties of 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline?
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline has a molecular weight of 437.41 g/mol, XLogP of 7.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110505261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).