CID 58662834

C18H15Cl2FNO5 — CID 58662834

IUPAC—
SMILESCC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O
InChIInChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24)
InChIKeyXYJPWCVAILDPQT-UHFFFAOYSA-N
MW415.22 g/mol
LogP4.73
Rot. Bonds6

About CID 58662834

CID 58662834 (PubChem CID 58662834) has the molecular formula C18H15Cl2FNO5 and a molecular weight of 415.22 g/mol.

Molecular Properties

Compound NameCID 58662834
PubChem CID58662834
Molecular FormulaC18H15Cl2FNO5
Molecular Weight415.22 g/mol
Exact Mass414.03
IUPAC Name—
SMILESCC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O
InChIInChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24)
InChIKeyXYJPWCVAILDPQT-UHFFFAOYSA-N
XLogP4.73
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58662834?
The IUPAC name of CID 58662834 (CID 58662834) is not available.
What is the SMILES notation for CID 58662834?
The canonical SMILES for CID 58662834 is CC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O.
What is the InChIKey of CID 58662834?
The InChIKey is XYJPWCVAILDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24).
What are the key properties of CID 58662834?
CID 58662834 has a molecular weight of 415.22 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58662834 is sourced from PubChem (CID 58662834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).