bis[2-(4-methoxyanilino)phenyl]methanone

C27H24N2O3 — CID 141301142

IUPACbis[2-(4-methoxyanilino)phenyl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)c2ccccc2Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-21-15-11-19(12-16-21)28-25-9-5-3-7-23(25)27(30)24-8-4-6-10-26(24)29-20-13-17-22(32-2)18-14-20/h3-18,28-29H,1-2H3
InChIKeyVSJIYOJASFLFFY-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.42
Rot. Bonds8

About bis[2-(4-methoxyanilino)phenyl]methanone

bis[2-(4-methoxyanilino)phenyl]methanone (PubChem CID 141301142) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is bis[2-(4-methoxyanilino)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(4-methoxyanilino)phenyl]methanone
PubChem CID141301142
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namebis[2-(4-methoxyanilino)phenyl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)c2ccccc2Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-21-15-11-19(12-16-21)28-25-9-5-3-7-23(25)27(30)24-8-4-6-10-26(24)29-20-13-17-22(32-2)18-14-20/h3-18,28-29H,1-2H3
InChIKeyVSJIYOJASFLFFY-UHFFFAOYSA-N
XLogP6.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
bis(2-anilinophenyl)methanone
CID 141301141
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
CID 142467985
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
2-(4-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55720016
2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 111663042

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methoxyanilino)phenyl]methanone?
The IUPAC name of bis[2-(4-methoxyanilino)phenyl]methanone (CID 141301142) is bis[2-(4-methoxyanilino)phenyl]methanone.
What is the SMILES notation for bis[2-(4-methoxyanilino)phenyl]methanone?
The canonical SMILES for bis[2-(4-methoxyanilino)phenyl]methanone is COc1ccc(Nc2ccccc2C(=O)c2ccccc2Nc2ccc(OC)cc2)cc1.
What is the InChIKey of bis[2-(4-methoxyanilino)phenyl]methanone?
The InChIKey is VSJIYOJASFLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-21-15-11-19(12-16-21)28-25-9-5-3-7-23(25)27(30)24-8-4-6-10-26(24)29-20-13-17-22(32-2)18-14-20/h3-18,28-29H,1-2H3.
What are the key properties of bis[2-(4-methoxyanilino)phenyl]methanone?
bis[2-(4-methoxyanilino)phenyl]methanone has a molecular weight of 424.50 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methoxyanilino)phenyl]methanone is sourced from PubChem (CID 141301142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).