(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate

C15H11Cl2NO3 — CID 26963803

IUPAC(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)15(20)21-8-9-1-3-10(4-2-9)14(18)19/h1-7H,8H2,(H2,18,19)
InChIKeyCKDHAZDTIRIDAJ-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.45
Rot. Bonds4

About (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate

(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate (PubChem CID 26963803) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate
PubChem CID26963803
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)15(20)21-8-9-1-3-10(4-2-9)14(18)19/h1-7H,8H2,(H2,18,19)
InChIKeyCKDHAZDTIRIDAJ-UHFFFAOYSA-N
XLogP3.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate (CID 26963803) is (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate is NC(=O)c1ccc(COC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate?
The InChIKey is CKDHAZDTIRIDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)15(20)21-8-9-1-3-10(4-2-9)14(18)19/h1-7H,8H2,(H2,18,19).
What are the key properties of (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate?
(4-carbamoylphenyl)methyl 3,4-dichlorobenzoate has a molecular weight of 324.16 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3,4-dichlorobenzoate is sourced from PubChem (CID 26963803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).