2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate

C88H58Cl8NO19-7 — CID 158107933

IUPAC2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate
SMILESNC(=O)c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1cccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)c1.O=C([O-])c1ccccc1COc1ccc(Cl)c(Cc2ccccc2C(=O)[O-])c1Cl
InChIInChI=1S/C22H17Cl2NO4.3C22H16Cl2O5/c23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28;23-18-9-10-19(29-12-14-6-2-4-8-16(14)22(27)28)20(24)17(18)11-13-5-1-3-7-15(13)21(25)26;23-18-8-9-19(29-12-13-4-3-6-15(10-13)21(25)26)20(24)17(18)11-14-5-1-2-7-16(14)22(27)28;23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28/h1-10H,11-12H2,(H2,25,26)(H,27,28);3*1-10H,11-12H2,(H,25,26)(H,27,28)/p-7
InChIKeyFQBJVSLNMXQJHO-UHFFFAOYSA-G
MW1717.04 g/mol
LogP12.30
Rot. Bonds28

About 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate

2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate (PubChem CID 158107933) has the molecular formula C88H58Cl8NO19-7 and a molecular weight of 1717.04 g/mol. Its IUPAC name is 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate.

Molecular Properties

Compound Name2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate
PubChem CID158107933
Molecular FormulaC88H58Cl8NO19-7
Molecular Weight1717.04 g/mol
Exact Mass1712.11
IUPAC Name2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate
SMILESNC(=O)c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1cccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)c1.O=C([O-])c1ccccc1COc1ccc(Cl)c(Cc2ccccc2C(=O)[O-])c1Cl
InChIInChI=1S/C22H17Cl2NO4.3C22H16Cl2O5/c23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28;23-18-9-10-19(29-12-14-6-2-4-8-16(14)22(27)28)20(24)17(18)11-13-5-1-3-7-15(13)21(25)26;23-18-8-9-19(29-12-13-4-3-6-15(10-13)21(25)26)20(24)17(18)11-14-5-1-2-7-16(14)22(27)28;23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28/h1-10H,11-12H2,(H2,25,26)(H,27,28);3*1-10H,11-12H2,(H,25,26)(H,27,28)/p-7
InChIKeyFQBJVSLNMXQJHO-UHFFFAOYSA-G
XLogP12.30
TPSA360.92 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.04
LogP ≤ 512.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate with MolForge

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Related Compounds

2-[3-[(3-carbamoylphenyl)methoxy]-2,6-dichloroanilino]benzoic acid
CID 147644225
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-[(2,4,6-trichlorophenoxy)methyl]benzoate
CID 7015973
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate?
The IUPAC name of 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate (CID 158107933) is 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate.
What is the SMILES notation for 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate?
The canonical SMILES for 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate is NC(=O)c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1ccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)cc1.O=C([O-])c1cccc(COc2ccc(Cl)c(Cc3ccccc3C(=O)[O-])c2Cl)c1.O=C([O-])c1ccccc1COc1ccc(Cl)c(Cc2ccccc2C(=O)[O-])c1Cl.
What is the InChIKey of 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate?
The InChIKey is FQBJVSLNMXQJHO-UHFFFAOYSA-G. The full InChI is InChI=1S/C22H17Cl2NO4.3C22H16Cl2O5/c23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28;23-18-9-10-19(29-12-14-6-2-4-8-16(14)22(27)28)20(24)17(18)11-13-5-1-3-7-15(13)21(25)26;23-18-8-9-19(29-12-13-4-3-6-15(10-13)21(25)26)20(24)17(18)11-14-5-1-2-7-16(14)22(27)28;23-18-9-10-19(29-12-13-5-7-14(8-6-13)21(25)26)20(24)17(18)11-15-3-1-2-4-16(15)22(27)28/h1-10H,11-12H2,(H2,25,26)(H,27,28);3*1-10H,11-12H2,(H,25,26)(H,27,28)/p-7.
What are the key properties of 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate?
2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate has a molecular weight of 1717.04 g/mol, XLogP of 12.30, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-carbamoylphenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(2-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(3-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate;2-[[3-[(4-carboxylatophenyl)methoxy]-2,6-dichlorophenyl]methyl]benzoate is sourced from PubChem (CID 158107933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).