CID 166753217

C24H26Cl3FN2O — CID 166753217

IUPAC—
SMILESCN1C(CCl)C(c2cccc(Cl)c2F)C2(c3ccc(Cl)cc3N[C@@H]2O)C12CCCCC2
InChIInChI=1S/C24H26Cl3FN2O/c1-30-19(13-25)20(15-6-5-7-17(27)21(15)28)24(23(30)10-3-2-4-11-23)16-9-8-14(26)12-18(16)29-22(24)31/h5-9,12,19-20,22,29,31H,2-4,10-11,13H2,1H3/t19?,20?,22-,24?/m1/s1
InChIKeyASHRSBMQHABTDJ-SERLKELLSA-N
MW483.84 g/mol
LogP6.15
Rot. Bonds2

About CID 166753217

CID 166753217 (PubChem CID 166753217) has the molecular formula C24H26Cl3FN2O and a molecular weight of 483.84 g/mol.

Molecular Properties

Compound NameCID 166753217
PubChem CID166753217
Molecular FormulaC24H26Cl3FN2O
Molecular Weight483.84 g/mol
Exact Mass482.11
IUPAC Name—
SMILESCN1C(CCl)C(c2cccc(Cl)c2F)C2(c3ccc(Cl)cc3N[C@@H]2O)C12CCCCC2
InChIInChI=1S/C24H26Cl3FN2O/c1-30-19(13-25)20(15-6-5-7-17(27)21(15)28)24(23(30)10-3-2-4-11-23)16-9-8-14(26)12-18(16)29-22(24)31/h5-9,12,19-20,22,29,31H,2-4,10-11,13H2,1H3/t19?,20?,22-,24?/m1/s1
InChIKeyASHRSBMQHABTDJ-SERLKELLSA-N
XLogP6.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.84
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 166753217?
The IUPAC name of CID 166753217 (CID 166753217) is not available.
What is the SMILES notation for CID 166753217?
The canonical SMILES for CID 166753217 is CN1C(CCl)C(c2cccc(Cl)c2F)C2(c3ccc(Cl)cc3N[C@@H]2O)C12CCCCC2.
What is the InChIKey of CID 166753217?
The InChIKey is ASHRSBMQHABTDJ-SERLKELLSA-N. The full InChI is InChI=1S/C24H26Cl3FN2O/c1-30-19(13-25)20(15-6-5-7-17(27)21(15)28)24(23(30)10-3-2-4-11-23)16-9-8-14(26)12-18(16)29-22(24)31/h5-9,12,19-20,22,29,31H,2-4,10-11,13H2,1H3/t19?,20?,22-,24?/m1/s1.
What are the key properties of CID 166753217?
CID 166753217 has a molecular weight of 483.84 g/mol, XLogP of 6.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166753217 is sourced from PubChem (CID 166753217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).