N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide

C10H12BrFN2O — CID 104877025

IUPACN-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
SMILESC[C@H](CN)NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(5-13)14-10(15)7-3-2-4-8(12)9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyKHCRLXLLTUCFII-ZCFIWIBFSA-N
MW275.12 g/mol
LogP1.67
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide

N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide (PubChem CID 104877025) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
PubChem CID104877025
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
SMILESC[C@H](CN)NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(5-13)14-10(15)7-3-2-4-8(12)9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyKHCRLXLLTUCFII-ZCFIWIBFSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114113916
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide (CID 104877025) is N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide is C[C@H](CN)NC(=O)c1cccc(F)c1Br.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide?
The InChIKey is KHCRLXLLTUCFII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(5-13)14-10(15)7-3-2-4-8(12)9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide?
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide has a molecular weight of 275.12 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide is sourced from PubChem (CID 104877025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).