CID 58662835

C20H20Cl2NO5 — CID 58662835

IUPAC—
SMILESCc1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)c(C)c2Cl)cc(C(C)C)c1O
InChIInChI=1S/C20H20Cl2NO5/c1-9(2)13-6-12(5-10(3)18(13)26)28-19-15(21)7-14(11(4)17(19)22)20(27)23-8-16(24)25/h5-9,26H,1-4H3,(H,23,27)(H,24,25)
InChIKeyVCAJUPYAEPHLNV-UHFFFAOYSA-N
MW425.29 g/mol
LogP5.21
Rot. Bonds6

About CID 58662835

CID 58662835 (PubChem CID 58662835) has the molecular formula C20H20Cl2NO5 and a molecular weight of 425.29 g/mol.

Molecular Properties

Compound NameCID 58662835
PubChem CID58662835
Molecular FormulaC20H20Cl2NO5
Molecular Weight425.29 g/mol
Exact Mass424.07
IUPAC Name—
SMILESCc1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)c(C)c2Cl)cc(C(C)C)c1O
InChIInChI=1S/C20H20Cl2NO5/c1-9(2)13-6-12(5-10(3)18(13)26)28-19-15(21)7-14(11(4)17(19)22)20(27)23-8-16(24)25/h5-9,26H,1-4H3,(H,23,27)(H,24,25)
InChIKeyVCAJUPYAEPHLNV-UHFFFAOYSA-N
XLogP5.21
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.29
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58662835?
The IUPAC name of CID 58662835 (CID 58662835) is not available.
What is the SMILES notation for CID 58662835?
The canonical SMILES for CID 58662835 is Cc1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)c(C)c2Cl)cc(C(C)C)c1O.
What is the InChIKey of CID 58662835?
The InChIKey is VCAJUPYAEPHLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2NO5/c1-9(2)13-6-12(5-10(3)18(13)26)28-19-15(21)7-14(11(4)17(19)22)20(27)23-8-16(24)25/h5-9,26H,1-4H3,(H,23,27)(H,24,25).
What are the key properties of CID 58662835?
CID 58662835 has a molecular weight of 425.29 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58662835 is sourced from PubChem (CID 58662835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).