(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol

C15H14Cl2N2O — CID 146370347

IUPAC(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol
SMILESOC(Nc1ccc(Cl)cc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-6-14(13(17)7-12)18-15(20)19-8-10-3-1-2-4-11(10)9-19/h1-7,15,18,20H,8-9H2
InChIKeyVETFWLLPTQLWHR-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.70
Rot. Bonds3

About (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol

(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol (PubChem CID 146370347) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol.

Molecular Properties

Compound Name(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol
PubChem CID146370347
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol
SMILESOC(Nc1ccc(Cl)cc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-6-14(13(17)7-12)18-15(20)19-8-10-3-1-2-4-11(10)9-19/h1-7,15,18,20H,8-9H2
InChIKeyVETFWLLPTQLWHR-UHFFFAOYSA-N
XLogP3.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol?
The IUPAC name of (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol (CID 146370347) is (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol.
What is the SMILES notation for (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol?
The canonical SMILES for (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol is OC(Nc1ccc(Cl)cc1Cl)N1Cc2ccccc2C1.
What is the InChIKey of (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol?
The InChIKey is VETFWLLPTQLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-5-6-14(13(17)7-12)18-15(20)19-8-10-3-1-2-4-11(10)9-19/h1-7,15,18,20H,8-9H2.
What are the key properties of (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol?
(2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol has a molecular weight of 309.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloroanilino)-(1,3-dihydroisoindol-2-yl)methanol is sourced from PubChem (CID 146370347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).