N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide

C11H10BrF3N2O2 — CID 81448480

IUPACN-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H10BrF3N2O2/c1-5(9(16)18)17-10(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyUQTMJDWPCUAYES-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.07
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide

N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide (PubChem CID 81448480) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
PubChem CID81448480
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H10BrF3N2O2/c1-5(9(16)18)17-10(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyUQTMJDWPCUAYES-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-cyano-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449651
4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
CID 171390408
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromo-5-(trifluoromethyl)benzamide
CID 171390349
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide (CID 81448480) is N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide is CC(NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide?
The InChIKey is UQTMJDWPCUAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c1-5(9(16)18)17-10(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide?
N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide has a molecular weight of 339.11 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81448480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).