N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide

C11H12FNO2 — CID 71979004

IUPACN-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C11H12FNO2/c1-6-4-8(6)11(15)13-9-5-7(12)2-3-10(9)14/h2-3,5-6,8,14H,4H2,1H3,(H,13,15)
InChIKeyYBNQGHZSPUKBSW-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.13
Rot. Bonds2

About N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide

N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 71979004) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID71979004
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C11H12FNO2/c1-6-4-8(6)11(15)13-9-5-7(12)2-3-10(9)14/h2-3,5-6,8,14H,4H2,1H3,(H,13,15)
InChIKeyYBNQGHZSPUKBSW-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide (CID 71979004) is N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cc(F)ccc1O.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is YBNQGHZSPUKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6-4-8(6)11(15)13-9-5-7(12)2-3-10(9)14/h2-3,5-6,8,14H,4H2,1H3,(H,13,15).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71979004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).