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

C21H17Cl3N2O2 — CID 110840474

IUPAC3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O2/c1-27-20-7-3-5-15(12-25-26-17-8-9-18(23)19(24)11-17)21(20)28-13-14-4-2-6-16(22)10-14/h2-12,26H,13H2,1H3
InChIKeyPLYAZZLHYYRKHZ-UHFFFAOYSA-N
MW435.74 g/mol
LogP6.68
Rot. Bonds7

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

3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (PubChem CID 110840474) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
PubChem CID110840474
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC Name3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O2/c1-27-20-7-3-5-15(12-25-26-17-8-9-18(23)19(24)11-17)21(20)28-13-14-4-2-6-16(22)10-14/h2-12,26H,13H2,1H3
InChIKeyPLYAZZLHYYRKHZ-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

3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842527
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitroaniline
CID 110842221
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
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
N-[(Z)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126035891
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (CID 110840474) is 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is COc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The InChIKey is PLYAZZLHYYRKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c1-27-20-7-3-5-15(12-25-26-17-8-9-18(23)19(24)11-17)21(20)28-13-14-4-2-6-16(22)10-14/h2-12,26H,13H2,1H3.
What are the key properties of 3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
3,4-dichloro-N-[[2-[(3-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-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 110840474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).