3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide

C11H11BrFNO — CID 165436206

IUPAC3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide
SMILESCc1cc(Br)c(F)c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H11BrFNO/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyDBQLICSOIFQZBZ-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.79
Rot. Bonds2

About 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide

3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide (PubChem CID 165436206) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide
PubChem CID165436206
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide
SMILESCc1cc(Br)c(F)c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H11BrFNO/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyDBQLICSOIFQZBZ-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide (CID 165436206) is 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide is Cc1cc(Br)c(F)c(C(=O)NC2CC2)c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The InChIKey is DBQLICSOIFQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide?
3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide has a molecular weight of 272.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 165436206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).