CID 152744474

C19H14Cl2N2O — CID 152744474

IUPAC—
SMILESCC(=C=Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H14Cl2N2O/c1-14(8-10-23-11-9-22-13-23)15-2-5-17(6-3-15)24-19-7-4-16(20)12-18(19)21/h2-7,9-13H,1H3
InChIKeyOYLRDFFBZLFOKO-UHFFFAOYSA-N
MW357.24 g/mol
LogP6.16
Rot. Bonds4

About CID 152744474

CID 152744474 (PubChem CID 152744474) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol.

Molecular Properties

Compound NameCID 152744474
PubChem CID152744474
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name—
SMILESCC(=C=Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H14Cl2N2O/c1-14(8-10-23-11-9-22-13-23)15-2-5-17(6-3-15)24-19-7-4-16(20)12-18(19)21/h2-7,9-13H,1H3
InChIKeyOYLRDFFBZLFOKO-UHFFFAOYSA-N
XLogP6.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole
CID 70527103
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[4-(2,4-dichlorophenoxy)anilino] acetate
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1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenyl] 4-chlorobenzoate
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Frequently Asked Questions

What is the IUPAC name of CID 152744474?
The IUPAC name of CID 152744474 (CID 152744474) is not available.
What is the SMILES notation for CID 152744474?
The canonical SMILES for CID 152744474 is CC(=C=Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of CID 152744474?
The InChIKey is OYLRDFFBZLFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-14(8-10-23-11-9-22-13-23)15-2-5-17(6-3-15)24-19-7-4-16(20)12-18(19)21/h2-7,9-13H,1H3.
What are the key properties of CID 152744474?
CID 152744474 has a molecular weight of 357.24 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152744474 is sourced from PubChem (CID 152744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).