N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide

C22H18ClNO4 — CID 3627537

IUPACN-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H18ClNO4/c1-27-16-9-10-17(20(13-16)28-2)22(26)24-19-11-8-15(23)12-18(19)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyPBEDBRHBWJQOQT-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.84
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide

N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide (PubChem CID 3627537) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide
PubChem CID3627537
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H18ClNO4/c1-27-16-9-10-17(20(13-16)28-2)22(26)24-19-11-8-15(23)12-18(19)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyPBEDBRHBWJQOQT-UHFFFAOYSA-N
XLogP4.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide (CID 3627537) is N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide?
The InChIKey is PBEDBRHBWJQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-27-16-9-10-17(20(13-16)28-2)22(26)24-19-11-8-15(23)12-18(19)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide?
N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide has a molecular weight of 395.84 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 3627537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).