CID 154010944

C23H21Cl2FN2O3 — CID 154010944

IUPAC—
SMILESO=C(O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
InChIInChI=1S/C23H21Cl2FN2O3/c24-12-7-8-14-16(11-12)27-21(31)23(14)17(13-5-4-6-15(25)18(13)26)19(20(29)30)28-22(23)9-2-1-3-10-22/h4-8,11,17,19,28H,1-3,9-10H2,(H,27,31)(H,29,30)/t17?,19-,23-/m1/s1
InChIKeyGQQZEPFAYBPYQU-PGGHUXMYSA-N
MW463.34 g/mol
LogP4.87
Rot. Bonds2

About CID 154010944

CID 154010944 (PubChem CID 154010944) has the molecular formula C23H21Cl2FN2O3 and a molecular weight of 463.34 g/mol.

Molecular Properties

Compound NameCID 154010944
PubChem CID154010944
Molecular FormulaC23H21Cl2FN2O3
Molecular Weight463.34 g/mol
Exact Mass462.09
IUPAC Name—
SMILESO=C(O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
InChIInChI=1S/C23H21Cl2FN2O3/c24-12-7-8-14-16(11-12)27-21(31)23(14)17(13-5-4-6-15(25)18(13)26)19(20(29)30)28-22(23)9-2-1-3-10-22/h4-8,11,17,19,28H,1-3,9-10H2,(H,27,31)(H,29,30)/t17?,19-,23-/m1/s1
InChIKeyGQQZEPFAYBPYQU-PGGHUXMYSA-N
XLogP4.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 154010944?
The IUPAC name of CID 154010944 (CID 154010944) is not available.
What is the SMILES notation for CID 154010944?
The canonical SMILES for CID 154010944 is O=C(O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F.
What is the InChIKey of CID 154010944?
The InChIKey is GQQZEPFAYBPYQU-PGGHUXMYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3/c24-12-7-8-14-16(11-12)27-21(31)23(14)17(13-5-4-6-15(25)18(13)26)19(20(29)30)28-22(23)9-2-1-3-10-22/h4-8,11,17,19,28H,1-3,9-10H2,(H,27,31)(H,29,30)/t17?,19-,23-/m1/s1.
What are the key properties of CID 154010944?
CID 154010944 has a molecular weight of 463.34 g/mol, XLogP of 4.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154010944 is sourced from PubChem (CID 154010944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).