N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C26H21Cl2NO2 — CID 126141207

IUPACN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H21Cl2NO2/c27-24-9-5-4-6-20(24)18-30-26-15-10-19(16-25(26)28)17-29-21-11-13-23(14-12-21)31-22-7-2-1-3-8-22/h1-16,29H,17-18H2
InChIKeyQEPYGROTRZBCET-UHFFFAOYSA-N
MW450.37 g/mol
LogP7.98
Rot. Bonds8

About N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126141207) has the molecular formula C26H21Cl2NO2 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126141207
Molecular FormulaC26H21Cl2NO2
Molecular Weight450.37 g/mol
Exact Mass449.09
IUPAC NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H21Cl2NO2/c27-24-9-5-4-6-20(24)18-30-26-15-10-19(16-25(26)28)17-29-21-11-13-23(14-12-21)31-22-7-2-1-3-8-22/h1-16,29H,17-18H2
InChIKeyQEPYGROTRZBCET-UHFFFAOYSA-N
XLogP7.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 2992439
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126128028
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126119873

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126141207) is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Clc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is QEPYGROTRZBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2NO2/c27-24-9-5-4-6-20(24)18-30-26-15-10-19(16-25(26)28)17-29-21-11-13-23(14-12-21)31-22-7-2-1-3-8-22/h1-16,29H,17-18H2.
What are the key properties of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 450.37 g/mol, XLogP of 7.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126141207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).