N-(4-anilinophenyl)-3,4-dimethoxybenzamide

C21H20N2O3 — CID 868113

IUPACN-(4-anilinophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-13-8-15(14-20(19)26-2)21(24)23-18-11-9-17(10-12-18)22-16-6-4-3-5-7-16/h3-14,22H,1-2H3,(H,23,24)
InChIKeyBBICUVDUPYBGLP-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.70
Rot. Bonds6

About N-(4-anilinophenyl)-3,4-dimethoxybenzamide

N-(4-anilinophenyl)-3,4-dimethoxybenzamide (PubChem CID 868113) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3,4-dimethoxybenzamide
PubChem CID868113
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(4-anilinophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-13-8-15(14-20(19)26-2)21(24)23-18-11-9-17(10-12-18)22-16-6-4-3-5-7-16/h3-14,22H,1-2H3,(H,23,24)
InChIKeyBBICUVDUPYBGLP-UHFFFAOYSA-N
XLogP4.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-anilinophenyl)-3,4-dimethoxybenzamide (CID 868113) is N-(4-anilinophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-(4-anilinophenyl)-3,4-dimethoxybenzamide?
The InChIKey is BBICUVDUPYBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-19-13-8-15(14-20(19)26-2)21(24)23-18-11-9-17(10-12-18)22-16-6-4-3-5-7-16/h3-14,22H,1-2H3,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-3,4-dimethoxybenzamide?
N-(4-anilinophenyl)-3,4-dimethoxybenzamide has a molecular weight of 348.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 868113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).