4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol

C17H18BrFN2O2 — CID 173319867

IUPAC4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
SMILESCC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1CF
InChIInChI=1S/C17H18BrFN2O2/c1-17(2,3)23-21-16(13-9-12(18)6-7-14(13)22)15-11(10-19)5-4-8-20-15/h4-9,22H,10H2,1-3H3
InChIKeySIUZPTUEZZUKCW-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.59
Rot. Bonds4

About 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol

4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol (PubChem CID 173319867) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
PubChem CID173319867
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
SMILESCC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1CF
InChIInChI=1S/C17H18BrFN2O2/c1-17(2,3)23-21-16(13-9-12(18)6-7-14(13)22)15-11(10-19)5-4-8-20-15/h4-9,22H,10H2,1-3H3
InChIKeySIUZPTUEZZUKCW-UHFFFAOYSA-N
XLogP4.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The IUPAC name of 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol (CID 173319867) is 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol.
What is the SMILES notation for 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The canonical SMILES for 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol is CC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1CF.
What is the InChIKey of 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The InChIKey is SIUZPTUEZZUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c1-17(2,3)23-21-16(13-9-12(18)6-7-14(13)22)15-11(10-19)5-4-8-20-15/h4-9,22H,10H2,1-3H3.
What are the key properties of 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol has a molecular weight of 381.25 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[C-[3-(fluoromethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol is sourced from PubChem (CID 173319867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).