CID 71020635

C24H24Cl2FN3O2 — CID 71020635

IUPAC—
SMILESCNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C24H24Cl2FN3O2/c1-28-21(31)20-18(14-6-5-7-16(26)19(14)27)24(23(30-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)29-22(24)32/h5-9,12,18,20,30H,2-4,10-11H2,1H3,(H,28,31)(H,29,32)/t18-,20+,24+/m0/s1
InChIKeyLHBZDASUSDFFIL-MFSJNOQSSA-N
MW476.38 g/mol
LogP4.53
Rot. Bonds2

About CID 71020635

CID 71020635 (PubChem CID 71020635) has the molecular formula C24H24Cl2FN3O2 and a molecular weight of 476.38 g/mol.

Molecular Properties

Compound NameCID 71020635
PubChem CID71020635
Molecular FormulaC24H24Cl2FN3O2
Molecular Weight476.38 g/mol
Exact Mass475.12
IUPAC Name—
SMILESCNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C24H24Cl2FN3O2/c1-28-21(31)20-18(14-6-5-7-16(26)19(14)27)24(23(30-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)29-22(24)32/h5-9,12,18,20,30H,2-4,10-11H2,1H3,(H,28,31)(H,29,32)/t18-,20+,24+/m0/s1
InChIKeyLHBZDASUSDFFIL-MFSJNOQSSA-N
XLogP4.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 71020635?
The IUPAC name of CID 71020635 (CID 71020635) is not available.
What is the SMILES notation for CID 71020635?
The canonical SMILES for CID 71020635 is CNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F.
What is the InChIKey of CID 71020635?
The InChIKey is LHBZDASUSDFFIL-MFSJNOQSSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O2/c1-28-21(31)20-18(14-6-5-7-16(26)19(14)27)24(23(30-20)10-3-2-4-11-23)15-9-8-13(25)12-17(15)29-22(24)32/h5-9,12,18,20,30H,2-4,10-11H2,1H3,(H,28,31)(H,29,32)/t18-,20+,24+/m0/s1.
What are the key properties of CID 71020635?
CID 71020635 has a molecular weight of 476.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71020635 is sourced from PubChem (CID 71020635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).