[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone

C20H13Cl2NO — CID 10784299

IUPAC[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H13Cl2NO/c21-18-11-6-14(12-19(18)22)13-23-17-9-7-16(8-10-17)20(24)15-4-2-1-3-5-15/h1-13H/b23-13+
InChIKeyBDAFEFFDJLQVAM-YDZHTSKRSA-N
MW354.24 g/mol
LogP5.97
Rot. Bonds4

About [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone

[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 10784299) has the molecular formula C20H13Cl2NO and a molecular weight of 354.24 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID10784299
Molecular FormulaC20H13Cl2NO
Molecular Weight354.24 g/mol
Exact Mass353.04
IUPAC Name[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H13Cl2NO/c21-18-11-6-14(12-19(18)22)13-23-17-9-7-16(8-10-17)20(24)15-4-2-1-3-5-15/h1-13H/b23-13+
InChIKeyBDAFEFFDJLQVAM-YDZHTSKRSA-N
XLogP5.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.97
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 [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone (CID 10784299) is [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is BDAFEFFDJLQVAM-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H13Cl2NO/c21-18-11-6-14(12-19(18)22)13-23-17-9-7-16(8-10-17)20(24)15-4-2-1-3-5-15/h1-13H/b23-13+.
What are the key properties of [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone?
[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 354.24 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 10784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).