[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate

C21H15Cl2NO3 — CID 7723510

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H15Cl2NO3/c22-17-7-4-8-18(23)19(17)21(26)27-13-14-9-11-15(12-10-14)20(25)24-16-5-2-1-3-6-16/h1-12H,13H2,(H,24,25)
InChIKeyXBTDKSNBYMUAFT-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.60
Rot. Bonds5

About [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate

[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate (PubChem CID 7723510) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
PubChem CID7723510
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H15Cl2NO3/c22-17-7-4-8-18(23)19(17)21(26)27-13-14-9-11-15(12-10-14)20(25)24-16-5-2-1-3-6-16/h1-12H,13H2,(H,24,25)
InChIKeyXBTDKSNBYMUAFT-UHFFFAOYSA-N
XLogP5.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
[4-(phenylcarbamoyl)phenyl]methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576074
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
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[4-(phenylcarbamoyl)phenyl]methyl 2-methyl-2-phenylpropanoate
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[4-(phenylcarbamoyl)phenyl]methyl nitrate
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Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate (CID 7723510) is [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate is O=C(Nc1ccccc1)c1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate?
The InChIKey is XBTDKSNBYMUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c22-17-7-4-8-18(23)19(17)21(26)27-13-14-9-11-15(12-10-14)20(25)24-16-5-2-1-3-6-16/h1-12H,13H2,(H,24,25).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate?
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate has a molecular weight of 400.26 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate is sourced from PubChem (CID 7723510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).