CID 176612343

C24H23Cl2FN2O3 — CID 176612343

IUPAC—
SMILESCOC(=O)C1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
InChIInChI=1S/C24H23Cl2FN2O3/c1-32-21(30)20-18(14-6-5-7-16(26)19(14)27)24(23(29-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)28-22(24)31/h5-9,12,18,20,29H,2-4,10-11H2,1H3,(H,28,31)/t18?,20?,24-/m1/s1
InChIKeyNVHJFZHCXOIWBK-SCPLRKQGSA-N
MW477.36 g/mol
LogP4.95
Rot. Bonds2

About CID 176612343

CID 176612343 (PubChem CID 176612343) has the molecular formula C24H23Cl2FN2O3 and a molecular weight of 477.36 g/mol.

Molecular Properties

Compound NameCID 176612343
PubChem CID176612343
Molecular FormulaC24H23Cl2FN2O3
Molecular Weight477.36 g/mol
Exact Mass476.11
IUPAC Name—
SMILESCOC(=O)C1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
InChIInChI=1S/C24H23Cl2FN2O3/c1-32-21(30)20-18(14-6-5-7-16(26)19(14)27)24(23(29-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)28-22(24)31/h5-9,12,18,20,29H,2-4,10-11H2,1H3,(H,28,31)/t18?,20?,24-/m1/s1
InChIKeyNVHJFZHCXOIWBK-SCPLRKQGSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 176612343?
The IUPAC name of CID 176612343 (CID 176612343) is not available.
What is the SMILES notation for CID 176612343?
The canonical SMILES for CID 176612343 is COC(=O)C1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F.
What is the InChIKey of CID 176612343?
The InChIKey is NVHJFZHCXOIWBK-SCPLRKQGSA-N. The full InChI is InChI=1S/C24H23Cl2FN2O3/c1-32-21(30)20-18(14-6-5-7-16(26)19(14)27)24(23(29-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)28-22(24)31/h5-9,12,18,20,29H,2-4,10-11H2,1H3,(H,28,31)/t18?,20?,24-/m1/s1.
What are the key properties of CID 176612343?
CID 176612343 has a molecular weight of 477.36 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176612343 is sourced from PubChem (CID 176612343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).