3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H13BrFNO2 — CID 103944773

IUPAC3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyIGZGWTXGRCKMNB-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds3

About 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 103944773) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID103944773
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyIGZGWTXGRCKMNB-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide 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

3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
CID 110001013
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
3-bromo-4-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]benzamide
CID 107956471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 103944773) is 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is IGZGWTXGRCKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 103944773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).