N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline

C22H20Cl2N2O2 — CID 169383336

IUPACN-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-2-27-21-13-16(14-25-26-18-9-4-3-5-10-18)12-20(24)22(21)28-15-17-8-6-7-11-19(17)23/h3-14,26H,2,15H2,1H3
InChIKeyVQMDLSHFDVJZRD-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.42
Rot. Bonds8

About N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline (PubChem CID 169383336) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
PubChem CID169383336
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-2-27-21-13-16(14-25-26-18-9-4-3-5-10-18)12-20(24)22(21)28-15-17-8-6-7-11-19(17)23/h3-14,26H,2,15H2,1H3
InChIKeyVQMDLSHFDVJZRD-UHFFFAOYSA-N
XLogP6.42
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 132950633
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504886
2-N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627506
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
CID 94851477
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
2-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 126390386
3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoic acid
CID 20984005

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline (CID 169383336) is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline is CCOc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline?
The InChIKey is VQMDLSHFDVJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-2-27-21-13-16(14-25-26-18-9-4-3-5-10-18)12-20(24)22(21)28-15-17-8-6-7-11-19(17)23/h3-14,26H,2,15H2,1H3.
What are the key properties of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline?
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline has a molecular weight of 415.32 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 169383336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).