3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

C21H17Cl3N2O2 — CID 110840470

IUPAC3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-27-20-8-4-6-14(12-25-26-16-9-10-18(23)19(24)11-16)21(20)28-13-15-5-2-3-7-17(15)22/h2-12,26H,13H2,1H3
InChIKeyDCDIILPEUAMPKL-UHFFFAOYSA-N
MW435.74 g/mol
LogP6.68
Rot. Bonds7

About 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (PubChem CID 110840470) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
PubChem CID110840470
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC Name3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-27-20-8-4-6-14(12-25-26-16-9-10-18(23)19(24)11-16)21(20)28-13-15-5-2-3-7-17(15)22/h2-12,26H,13H2,1H3
InChIKeyDCDIILPEUAMPKL-UHFFFAOYSA-N
XLogP6.68
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 56.68
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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110840891
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitroaniline
CID 110842221
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (CID 110840470) is 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is COc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl.
What is the InChIKey of 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The InChIKey is DCDIILPEUAMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c1-27-20-8-4-6-14(12-25-26-16-9-10-18(23)19(24)11-16)21(20)28-13-15-5-2-3-7-17(15)22/h2-12,26H,13H2,1H3.
What are the key properties of 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline has a molecular weight of 435.74 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 110840470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).