N-(3,5-dimethoxyphenyl)-2-phenylbenzamide

C21H19NO3 — CID 848417

IUPACN-(3,5-dimethoxyphenyl)-2-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H19NO3/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,23)
InChIKeyNYAMLSNPYQRRTB-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.62
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-phenylbenzamide

N-(3,5-dimethoxyphenyl)-2-phenylbenzamide (PubChem CID 848417) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-phenylbenzamide
PubChem CID848417
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H19NO3/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,23)
InChIKeyNYAMLSNPYQRRTB-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenylbenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenylbenzamide (CID 848417) is N-(3,5-dimethoxyphenyl)-2-phenylbenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-phenylbenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-phenylbenzamide is COc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-phenylbenzamide?
The InChIKey is NYAMLSNPYQRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-phenylbenzamide?
N-(3,5-dimethoxyphenyl)-2-phenylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-phenylbenzamide is sourced from PubChem (CID 848417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).