acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline

C27H23Cl2NO4 — CID 19831510

IUPACacetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline
SMILESCC(=O)O.Clc1cccc(Cl)c1Nc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H19Cl2NO2.C2H4O2/c26-23-10-5-11-24(27)25(23)28-19-12-14-20(15-13-19)29-17-18-6-4-9-22(16-18)30-21-7-2-1-3-8-21;1-2(3)4/h1-16,28H,17H2;1H3,(H,3,4)
InChIKeyIOOQXXKINRGWNG-UHFFFAOYSA-N
MW496.39 g/mol
LogP8.20
Rot. Bonds7

About acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline

acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline (PubChem CID 19831510) has the molecular formula C27H23Cl2NO4 and a molecular weight of 496.39 g/mol. Its IUPAC name is acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline.

Molecular Properties

Compound Nameacetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline
PubChem CID19831510
Molecular FormulaC27H23Cl2NO4
Molecular Weight496.39 g/mol
Exact Mass495.10
IUPAC Nameacetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline
SMILESCC(=O)O.Clc1cccc(Cl)c1Nc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H19Cl2NO2.C2H4O2/c26-23-10-5-11-24(27)25(23)28-19-12-14-20(15-13-19)29-17-18-6-4-9-22(16-18)30-21-7-2-1-3-8-21;1-2(3)4/h1-16,28H,17H2;1H3,(H,3,4)
InChIKeyIOOQXXKINRGWNG-UHFFFAOYSA-N
XLogP8.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline 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

2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline
CID 19813723
2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
CID 19813720
2,2-dideuterio-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 163471018
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
methyl 2-[3-[[2-(2,6-dichloroanilino)phenyl]methoxy]phenyl]acetate
CID 174584948
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
3-(2-methylphenyl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 59132673
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline?
The IUPAC name of acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline (CID 19831510) is acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline.
What is the SMILES notation for acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline?
The canonical SMILES for acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline is CC(=O)O.Clc1cccc(Cl)c1Nc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline?
The InChIKey is IOOQXXKINRGWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO2.C2H4O2/c26-23-10-5-11-24(27)25(23)28-19-12-14-20(15-13-19)29-17-18-6-4-9-22(16-18)30-21-7-2-1-3-8-21;1-2(3)4/h1-16,28H,17H2;1H3,(H,3,4).
What are the key properties of acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline?
acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline has a molecular weight of 496.39 g/mol, XLogP of 8.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,6-dichloro-N-[4-[(3-phenoxyphenyl)methoxy]phenyl]aniline is sourced from PubChem (CID 19831510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).