1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

C11H11BrFNO2 — CID 76831091

IUPAC1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Br)ccc2F)CC1CO
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(13)8(3-7)11(10(14)16)4-6(11)5-15/h1-3,6,15H,4-5H2,(H2,14,16)
InChIKeyHTSBZIQLPUTJKS-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.32
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 76831091) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID76831091
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Br)ccc2F)CC1CO
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(13)8(3-7)11(10(14)16)4-6(11)5-15/h1-3,6,15H,4-5H2,(H2,14,16)
InChIKeyHTSBZIQLPUTJKS-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 76831091) is 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is NC(=O)C1(c2cc(Br)ccc2F)CC1CO.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is HTSBZIQLPUTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-1-2-9(13)8(3-7)11(10(14)16)4-6(11)5-15/h1-3,6,15H,4-5H2,(H2,14,16).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 288.12 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76831091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).