CID 142045984

C19H12BF3N2O3 — CID 142045984

IUPAC—
SMILES[B]c1ccc(O)c(C(=O)Nc2ccccc2Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H12BF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-13-6-1-2-7-15(13)28-12-5-3-4-11(10-12)19(21,22)23/h1-10,26H,(H,24,27)
InChIKeyMGQXBBWETKUPAH-UHFFFAOYSA-N
MW384.12 g/mol
LogP3.64
Rot. Bonds4

About CID 142045984

CID 142045984 (PubChem CID 142045984) has the molecular formula C19H12BF3N2O3 and a molecular weight of 384.12 g/mol.

Molecular Properties

Compound NameCID 142045984
PubChem CID142045984
Molecular FormulaC19H12BF3N2O3
Molecular Weight384.12 g/mol
Exact Mass384.09
IUPAC Name—
SMILES[B]c1ccc(O)c(C(=O)Nc2ccccc2Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H12BF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-13-6-1-2-7-15(13)28-12-5-3-4-11(10-12)19(21,22)23/h1-10,26H,(H,24,27)
InChIKeyMGQXBBWETKUPAH-UHFFFAOYSA-N
XLogP3.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 142045984 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 74225420
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
3-[2-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoylamino]phenoxy]benzoic acid
CID 23122298
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27298636
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775

Frequently Asked Questions

What is the IUPAC name of CID 142045984?
The IUPAC name of CID 142045984 (CID 142045984) is not available.
What is the SMILES notation for CID 142045984?
The canonical SMILES for CID 142045984 is [B]c1ccc(O)c(C(=O)Nc2ccccc2Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of CID 142045984?
The InChIKey is MGQXBBWETKUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-13-6-1-2-7-15(13)28-12-5-3-4-11(10-12)19(21,22)23/h1-10,26H,(H,24,27).
What are the key properties of CID 142045984?
CID 142045984 has a molecular weight of 384.12 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142045984 is sourced from PubChem (CID 142045984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).