CID 90149290

C18H10BCl2F4N3O2 — CID 90149290

IUPAC—
SMILES[B]c1cc(F)cc(Cl)c1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C18H10BCl2F4N3O2/c19-10-5-9(22)6-12(21)17(10)26-15(29)8-30-16-7-14(18(23,24)25)27-28(16)13-4-2-1-3-11(13)20/h1-7H,8H2,(H,26,29)
InChIKeyOUSMEWMOVRSRHU-UHFFFAOYSA-N
MW458.01 g/mol
LogP4.15
Rot. Bonds5

About CID 90149290

CID 90149290 (PubChem CID 90149290) has the molecular formula C18H10BCl2F4N3O2 and a molecular weight of 458.01 g/mol.

Molecular Properties

Compound NameCID 90149290
PubChem CID90149290
Molecular FormulaC18H10BCl2F4N3O2
Molecular Weight458.01 g/mol
Exact Mass457.02
IUPAC Name—
SMILES[B]c1cc(F)cc(Cl)c1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C18H10BCl2F4N3O2/c19-10-5-9(22)6-12(21)17(10)26-15(29)8-30-16-7-14(18(23,24)25)27-28(16)13-4-2-1-3-11(13)20/h1-7H,8H2,(H,26,29)
InChIKeyOUSMEWMOVRSRHU-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dimethylphenyl)acetamide
CID 57458370
2-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-4-fluorobenzoic acid
CID 57458592
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-pyridin-3-ylacetamide
CID 57458479
N-(2-chloro-4-methylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57458383
5-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-2-hydroxybenzoic acid
CID 59240271
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 57458369
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57470290
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 59240093
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 57458428
2-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-6-methylbenzoic acid
CID 57458553
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-quinolin-5-ylacetamide
CID 57458469

Frequently Asked Questions

What is the IUPAC name of CID 90149290?
The IUPAC name of CID 90149290 (CID 90149290) is not available.
What is the SMILES notation for CID 90149290?
The canonical SMILES for CID 90149290 is [B]c1cc(F)cc(Cl)c1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of CID 90149290?
The InChIKey is OUSMEWMOVRSRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BCl2F4N3O2/c19-10-5-9(22)6-12(21)17(10)26-15(29)8-30-16-7-14(18(23,24)25)27-28(16)13-4-2-1-3-11(13)20/h1-7H,8H2,(H,26,29).
What are the key properties of CID 90149290?
CID 90149290 has a molecular weight of 458.01 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90149290 is sourced from PubChem (CID 90149290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).