2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane

C44H38Cl4F2N2O6 — CID 144727883

IUPAC2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
SMILESCC.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2ccc(Cl)cc2)cc1F.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/2C21H16Cl2FNO3.C2H6/c1-27-18-9-8-13(10-17(18)24)12-25-21(26)20-16(23)6-3-7-19(20)28-15-5-2-4-14(22)11-15;1-27-18-10-5-13(11-17(18)24)12-25-21(26)20-16(23)3-2-4-19(20)28-15-8-6-14(22)7-9-15;1-2/h2*2-11H,12H2,1H3,(H,25,26);1-2H3
InChIKeyXTPGOKPIOJSTLI-UHFFFAOYSA-N
MW870.60 g/mol
LogP12.75
Rot. Bonds12

About 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane

2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane (PubChem CID 144727883) has the molecular formula C44H38Cl4F2N2O6 and a molecular weight of 870.60 g/mol. Its IUPAC name is 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane.

Molecular Properties

Compound Name2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
PubChem CID144727883
Molecular FormulaC44H38Cl4F2N2O6
Molecular Weight870.60 g/mol
Exact Mass868.15
IUPAC Name2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
SMILESCC.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2ccc(Cl)cc2)cc1F.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/2C21H16Cl2FNO3.C2H6/c1-27-18-9-8-13(10-17(18)24)12-25-21(26)20-16(23)6-3-7-19(20)28-15-5-2-4-14(22)11-15;1-27-18-10-5-13(11-17(18)24)12-25-21(26)20-16(23)3-2-4-19(20)28-15-8-6-14(22)7-9-15;1-2/h2*2-11H,12H2,1H3,(H,25,26);1-2H3
InChIKeyXTPGOKPIOJSTLI-UHFFFAOYSA-N
XLogP12.75
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.60
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane 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-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane?
The IUPAC name of 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane (CID 144727883) is 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane.
What is the SMILES notation for 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane?
The canonical SMILES for 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane is CC.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2ccc(Cl)cc2)cc1F.COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(Cl)c2)cc1F.
What is the InChIKey of 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane?
The InChIKey is XTPGOKPIOJSTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16Cl2FNO3.C2H6/c1-27-18-9-8-13(10-17(18)24)12-25-21(26)20-16(23)6-3-7-19(20)28-15-5-2-4-14(22)11-15;1-27-18-10-5-13(11-17(18)24)12-25-21(26)20-16(23)3-2-4-19(20)28-15-8-6-14(22)7-9-15;1-2/h2*2-11H,12H2,1H3,(H,25,26);1-2H3.
What are the key properties of 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane?
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane has a molecular weight of 870.60 g/mol, XLogP of 12.75, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane is sourced from PubChem (CID 144727883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).