bis(2-anilinophenyl)methanone

C25H20N2O — CID 141301141

IUPACbis(2-anilinophenyl)methanone
SMILESO=C(c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H20N2O/c28-25(21-15-7-9-17-23(21)26-19-11-3-1-4-12-19)22-16-8-10-18-24(22)27-20-13-5-2-6-14-20/h1-18,26-27H
InChIKeyBPECUPGNBIZZME-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.40
Rot. Bonds6

About bis(2-anilinophenyl)methanone

bis(2-anilinophenyl)methanone (PubChem CID 141301141) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is bis(2-anilinophenyl)methanone.

Molecular Properties

Compound Namebis(2-anilinophenyl)methanone
PubChem CID141301141
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Namebis(2-anilinophenyl)methanone
SMILESO=C(c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H20N2O/c28-25(21-15-7-9-17-23(21)26-19-11-3-1-4-12-19)22-16-8-10-18-24(22)27-20-13-5-2-6-14-20/h1-18,26-27H
InChIKeyBPECUPGNBIZZME-UHFFFAOYSA-N
XLogP6.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilinobenzoic acid;N-phenylaniline
CID 68732454
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
sodium;2-anilinobenzoic acid;formate
CID 174516679
2-(4-hydroxyanilino)benzoic acid
CID 11593806
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-anilino-N,N-dicyclohexylbenzamide
CID 5089823

Frequently Asked Questions

What is the IUPAC name of bis(2-anilinophenyl)methanone?
The IUPAC name of bis(2-anilinophenyl)methanone (CID 141301141) is bis(2-anilinophenyl)methanone.
What is the SMILES notation for bis(2-anilinophenyl)methanone?
The canonical SMILES for bis(2-anilinophenyl)methanone is O=C(c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1.
What is the InChIKey of bis(2-anilinophenyl)methanone?
The InChIKey is BPECUPGNBIZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c28-25(21-15-7-9-17-23(21)26-19-11-3-1-4-12-19)22-16-8-10-18-24(22)27-20-13-5-2-6-14-20/h1-18,26-27H.
What are the key properties of bis(2-anilinophenyl)methanone?
bis(2-anilinophenyl)methanone has a molecular weight of 364.45 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-anilinophenyl)methanone is sourced from PubChem (CID 141301141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).