5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H13BrFNO2 — CID 115765072

IUPAC5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(6-15)14(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6H2,1-2H3
InChIKeyPGENZWICLZPNCX-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.04
Rot. Bonds3

About 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 115765072) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID115765072
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(6-15)14(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6H2,1-2H3
InChIKeyPGENZWICLZPNCX-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
4-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitrobenzamide
CID 114278205
6-bromo-N-(1-hydroxypropan-2-yl)-N-methyl-2H-chromene-3-carboxamide
CID 112548223
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 115765072) is 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is PGENZWICLZPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(6-15)14(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 115765072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).