N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide

C10H11ClFNO2 — CID 91647843

IUPACN-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-10(2,12)9(15)13-6-3-4-8(14)7(11)5-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeyIYNSVUOTZOYOQQ-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.73
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide

N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide (PubChem CID 91647843) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide
PubChem CID91647843
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-10(2,12)9(15)13-6-3-4-8(14)7(11)5-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeyIYNSVUOTZOYOQQ-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide (CID 91647843) is N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide?
The InChIKey is IYNSVUOTZOYOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-10(2,12)9(15)13-6-3-4-8(14)7(11)5-6/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide?
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide has a molecular weight of 231.65 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 91647843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).