N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide

C12H13BrFNO2 — CID 107677747

IUPACN-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NC1(CBr)CCC1)c1ccc(O)cc1F
InChIInChI=1S/C12H13BrFNO2/c13-7-12(4-1-5-12)15-11(17)9-3-2-8(16)6-10(9)14/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyWEXVGEPLHFJTSX-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide

N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677747) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677747
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC NameN-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NC1(CBr)CCC1)c1ccc(O)cc1F
InChIInChI=1S/C12H13BrFNO2/c13-7-12(4-1-5-12)15-11(17)9-3-2-8(16)6-10(9)14/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyWEXVGEPLHFJTSX-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.58
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

N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
CID 164647494
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide (CID 107677747) is N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide is O=C(NC1(CBr)CCC1)c1ccc(O)cc1F.
What is the InChIKey of N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is WEXVGEPLHFJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-7-12(4-1-5-12)15-11(17)9-3-2-8(16)6-10(9)14/h2-3,6,16H,1,4-5,7H2,(H,15,17).
What are the key properties of N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide?
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 302.14 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).