N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine

C24H20ClNO2 — CID 134935913

IUPACN-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine
SMILESCc1ccc(-c2oc(=Nc3ccc(C)cc3Cl)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20ClNO2/c1-15-4-9-18(10-5-15)22-23(19-11-6-16(2)7-12-19)28-24(27-22)26-21-13-8-17(3)14-20(21)25/h4-14H,1-3H3
InChIKeyUWTFQCCWZCQKDF-UHFFFAOYSA-N
MW389.88 g/mol
LogP7.02
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine

N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine (PubChem CID 134935913) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine
PubChem CID134935913
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC NameN-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine
SMILESCc1ccc(-c2oc(=Nc3ccc(C)cc3Cl)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20ClNO2/c1-15-4-9-18(10-5-15)22-23(19-11-6-16(2)7-12-19)28-24(27-22)26-21-13-8-17(3)14-20(21)25/h4-14H,1-3H3
InChIKeyUWTFQCCWZCQKDF-UHFFFAOYSA-N
XLogP7.02
TPSA38.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine (CID 134935913) is N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine is Cc1ccc(-c2oc(=Nc3ccc(C)cc3Cl)oc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine?
The InChIKey is UWTFQCCWZCQKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2/c1-15-4-9-18(10-5-15)22-23(19-11-6-16(2)7-12-19)28-24(27-22)26-21-13-8-17(3)14-20(21)25/h4-14H,1-3H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine?
N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine has a molecular weight of 389.88 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4,5-bis(4-methylphenyl)-1,3-dioxol-2-imine is sourced from PubChem (CID 134935913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).