N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C26H20Cl3NO2 — CID 126127653

IUPACN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1cccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H20Cl3NO2/c27-20-6-4-5-18(13-20)17-31-26-19(14-21(28)15-25(26)29)16-30-22-9-11-24(12-10-22)32-23-7-2-1-3-8-23/h1-15,30H,16-17H2
InChIKeyUTZUBWIUZXMGPD-UHFFFAOYSA-N
MW484.81 g/mol
LogP8.63
Rot. Bonds8

About N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126127653) has the molecular formula C26H20Cl3NO2 and a molecular weight of 484.81 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126127653
Molecular FormulaC26H20Cl3NO2
Molecular Weight484.81 g/mol
Exact Mass483.06
IUPAC NameN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1cccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H20Cl3NO2/c27-20-6-4-5-18(13-20)17-31-26-19(14-21(28)15-25(26)29)16-30-22-9-11-24(12-10-22)32-23-7-2-1-3-8-23/h1-15,30H,16-17H2
InChIKeyUTZUBWIUZXMGPD-UHFFFAOYSA-N
XLogP8.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126118175
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
CID 126121340
N-[(3,5-dichloro-2-prop-2-enoxyphenyl)methyl]-4-phenoxyaniline
CID 126124158
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
CID 126122407
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126128028
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126127653) is N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Clc1cccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is UTZUBWIUZXMGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3NO2/c27-20-6-4-5-18(13-20)17-31-26-19(14-21(28)15-25(26)29)16-30-22-9-11-24(12-10-22)32-23-7-2-1-3-8-23/h1-15,30H,16-17H2.
What are the key properties of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 484.81 g/mol, XLogP of 8.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126127653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).