2-(4-chlorophenyl)imino-1,2-diphenylethanone

C20H14ClNO — CID 12823039

IUPAC2-(4-chlorophenyl)imino-1,2-diphenylethanone
SMILESO=C(/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClNO/c21-17-11-13-18(14-12-17)22-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16/h1-14H/b22-19-
InChIKeyBRIOHAHIWRCKJY-QOCHGBHMSA-N
MW319.79 g/mol
LogP5.34
Rot. Bonds4

About 2-(4-chlorophenyl)imino-1,2-diphenylethanone

2-(4-chlorophenyl)imino-1,2-diphenylethanone (PubChem CID 12823039) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-1,2-diphenylethanone
PubChem CID12823039
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name2-(4-chlorophenyl)imino-1,2-diphenylethanone
SMILESO=C(/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClNO/c21-17-11-13-18(14-12-17)22-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16/h1-14H/b22-19-
InChIKeyBRIOHAHIWRCKJY-QOCHGBHMSA-N
XLogP5.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-1,2-diphenylethanone?
The IUPAC name of 2-(4-chlorophenyl)imino-1,2-diphenylethanone (CID 12823039) is 2-(4-chlorophenyl)imino-1,2-diphenylethanone.
What is the SMILES notation for 2-(4-chlorophenyl)imino-1,2-diphenylethanone?
The canonical SMILES for 2-(4-chlorophenyl)imino-1,2-diphenylethanone is O=C(/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-1,2-diphenylethanone?
The InChIKey is BRIOHAHIWRCKJY-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-17-11-13-18(14-12-17)22-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16/h1-14H/b22-19-.
What are the key properties of 2-(4-chlorophenyl)imino-1,2-diphenylethanone?
2-(4-chlorophenyl)imino-1,2-diphenylethanone has a molecular weight of 319.79 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-1,2-diphenylethanone is sourced from PubChem (CID 12823039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).