CID 155714325

C17H23ClFN2O3Si — CID 155714325

IUPAC—
SMILESC=C(OCC)[C@H]1CC[Si](NC(=O)COc2ccc(Cl)c(F)c2)CN1C
InChIInChI=1S/C17H23ClFN2O3Si/c1-4-23-12(2)16-7-8-25(11-21(16)3)20-17(22)10-24-13-5-6-14(18)15(19)9-13/h5-6,9,16H,2,4,7-8,10-11H2,1,3H3,(H,20,22)/t16-/m1/s1
InChIKeyGOXODEIRIBPXAU-MRXNPFEDSA-N
MW385.92 g/mol
LogP2.76
Rot. Bonds7

About CID 155714325

CID 155714325 (PubChem CID 155714325) has the molecular formula C17H23ClFN2O3Si and a molecular weight of 385.92 g/mol.

Molecular Properties

Compound NameCID 155714325
PubChem CID155714325
Molecular FormulaC17H23ClFN2O3Si
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name—
SMILESC=C(OCC)[C@H]1CC[Si](NC(=O)COc2ccc(Cl)c(F)c2)CN1C
InChIInChI=1S/C17H23ClFN2O3Si/c1-4-23-12(2)16-7-8-25(11-21(16)3)20-17(22)10-24-13-5-6-14(18)15(19)9-13/h5-6,9,16H,2,4,7-8,10-11H2,1,3H3,(H,20,22)/t16-/m1/s1
InChIKeyGOXODEIRIBPXAU-MRXNPFEDSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 155714396
CID 155714396
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 155265185
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
CID 163263592
CID 163263592
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-3-carboxamide
CID 142586187
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
[(1S,2R,4S,5R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]carbamic acid
CID 155257001
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575

Frequently Asked Questions

What is the IUPAC name of CID 155714325?
The IUPAC name of CID 155714325 (CID 155714325) is not available.
What is the SMILES notation for CID 155714325?
The canonical SMILES for CID 155714325 is C=C(OCC)[C@H]1CC[Si](NC(=O)COc2ccc(Cl)c(F)c2)CN1C.
What is the InChIKey of CID 155714325?
The InChIKey is GOXODEIRIBPXAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23ClFN2O3Si/c1-4-23-12(2)16-7-8-25(11-21(16)3)20-17(22)10-24-13-5-6-14(18)15(19)9-13/h5-6,9,16H,2,4,7-8,10-11H2,1,3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of CID 155714325?
CID 155714325 has a molecular weight of 385.92 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155714325 is sourced from PubChem (CID 155714325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).