N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide

C10H10BrFN2O — CID 43593743

IUPACN-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
SMILESNC1CC1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H10BrFN2O/c11-7-2-1-5(12)3-6(7)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15)
InChIKeyDWZASVLMUMBABB-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.42
Rot. Bonds2

About N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide

N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide (PubChem CID 43593743) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
PubChem CID43593743
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC NameN-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
SMILESNC1CC1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H10BrFN2O/c11-7-2-1-5(12)3-6(7)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15)
InChIKeyDWZASVLMUMBABB-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
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2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
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2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
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CID 79687966
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CID 62398473
2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60667301
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-bromo-5-fluorobenzamide
CID 112729017
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
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CID 55169899

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide (CID 43593743) is N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide is NC1CC1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide?
The InChIKey is DWZASVLMUMBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-7-2-1-5(12)3-6(7)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15).
What are the key properties of N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide?
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide has a molecular weight of 273.11 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 43593743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).