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

C26H20Br2ClNO2 — CID 126118175

IUPACN-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1cccc(COc2c(Br)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)c1
InChIInChI=1S/C26H20Br2ClNO2/c27-24-14-19(15-25(28)26(24)31-17-18-5-4-6-20(29)13-18)16-30-21-9-11-23(12-10-21)32-22-7-2-1-3-8-22/h1-15,30H,16-17H2
InChIKeyDITHADGGKVDVDK-UHFFFAOYSA-N
MW573.71 g/mol
LogP8.85
Rot. Bonds8

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

N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126118175) has the molecular formula C26H20Br2ClNO2 and a molecular weight of 573.71 g/mol. Its IUPAC name is N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126118175
Molecular FormulaC26H20Br2ClNO2
Molecular Weight573.71 g/mol
Exact Mass570.95
IUPAC NameN-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESClc1cccc(COc2c(Br)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)c1
InChIInChI=1S/C26H20Br2ClNO2/c27-24-14-19(15-25(28)26(24)31-17-18-5-4-6-20(29)13-18)16-30-21-9-11-23(12-10-21)32-22-7-2-1-3-8-22/h1-15,30H,16-17H2
InChIKeyDITHADGGKVDVDK-UHFFFAOYSA-N
XLogP8.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.71
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717
3-chloro-N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]aniline
CID 3974934
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
CID 126121340
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126127653
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126128844
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloroaniline
CID 5135171
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
4-bromo-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126212611
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126118175) is N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Clc1cccc(COc2c(Br)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)c1.
What is the InChIKey of N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is DITHADGGKVDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2ClNO2/c27-24-14-19(15-25(28)26(24)31-17-18-5-4-6-20(29)13-18)16-30-21-9-11-23(12-10-21)32-22-7-2-1-3-8-22/h1-15,30H,16-17H2.
What are the key properties of N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 573.71 g/mol, XLogP of 8.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126118175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).