2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one

C22H16ClNO — CID 170912300

IUPAC2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C(c2ccccc2)C1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO/c23-16-10-12-17(13-11-16)24-14-20-21(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22(20)25/h1-14,20-21H/b24-14+
InChIKeyAQCICHKJDAEFKU-ZVHZXABRSA-N
MW345.83 g/mol
LogP5.69
Rot. Bonds3

About 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one

2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one (PubChem CID 170912300) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one
PubChem CID170912300
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C(c2ccccc2)C1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO/c23-16-10-12-17(13-11-16)24-14-20-21(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22(20)25/h1-14,20-21H/b24-14+
InChIKeyAQCICHKJDAEFKU-ZVHZXABRSA-N
XLogP5.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one (CID 170912300) is 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one is O=C1c2ccccc2C(c2ccccc2)C1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one?
The InChIKey is AQCICHKJDAEFKU-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H16ClNO/c23-16-10-12-17(13-11-16)24-14-20-21(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22(20)25/h1-14,20-21H/b24-14+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one?
2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one has a molecular weight of 345.83 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 170912300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).