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

C11H13BrClNO2 — CID 103944746

IUPAC3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/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)
InChIKeyKMNFCROFQMANGQ-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.60
Rot. Bonds3

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

3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 103944746) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID103944746
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/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)
InChIKeyKMNFCROFQMANGQ-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 103944746) is 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is KMNFCROFQMANGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/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-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 103944746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).