N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide

C11H11BrFNO2 — CID 107016999

IUPACN-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1c(O)cccc1F
InChIInChI=1S/C11H11BrFNO2/c12-6-11(4-5-11)14-10(16)9-7(13)2-1-3-8(9)15/h1-3,15H,4-6H2,(H,14,16)
InChIKeyFLURDOBLZNEXDD-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide

N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107016999) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107016999
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC NameN-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1c(O)cccc1F
InChIInChI=1S/C11H11BrFNO2/c12-6-11(4-5-11)14-10(16)9-7(13)2-1-3-8(9)15/h1-3,15H,4-6H2,(H,14,16)
InChIKeyFLURDOBLZNEXDD-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
CID 104916407
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide (CID 107016999) is N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide is O=C(NC1(CBr)CC1)c1c(O)cccc1F.
What is the InChIKey of N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is FLURDOBLZNEXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-6-11(4-5-11)14-10(16)9-7(13)2-1-3-8(9)15/h1-3,15H,4-6H2,(H,14,16).
What are the key properties of N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide?
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 288.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).