N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide

C11H13BrFNO2 — CID 107016853

IUPACN-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
SMILESCCC(CBr)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H13BrFNO2/c1-2-8(6-12)14-11(16)9-4-3-7(13)5-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyATKUZCKRZZJFGF-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.43
Rot. Bonds4

About N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide

N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide (PubChem CID 107016853) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
PubChem CID107016853
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
SMILESCCC(CBr)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H13BrFNO2/c1-2-8(6-12)14-11(16)9-4-3-7(13)5-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyATKUZCKRZZJFGF-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
N-(1-chloro-4-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114211943
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
N-(1-bromopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 113496406
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide (CID 107016853) is N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide is CCC(CBr)NC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is ATKUZCKRZZJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-8(6-12)14-11(16)9-4-3-7(13)5-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16).
What are the key properties of N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide?
N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).