N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide

C11H13BrN2O2 — CID 80980301

IUPACN-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)C(N)=O)c1
InChIInChI=1S/C11H13BrN2O2/c1-6-3-4-9(12)8(5-6)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyQKKHGPCDUMFFHO-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.36
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide

N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide (PubChem CID 80980301) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
PubChem CID80980301
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)C(N)=O)c1
InChIInChI=1S/C11H13BrN2O2/c1-6-3-4-9(12)8(5-6)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyQKKHGPCDUMFFHO-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
methyl 2-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoate
CID 80979700
N-(1-amino-3-methylbutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111788
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423
(2S)-4-amino-2-[(2-bromo-5-methylbenzoyl)amino]-4-oxobutanoic acid
CID 81109716
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
N-(1-aminobutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111665
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-bromo-5-methylbenzamide
CID 81117216

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide (CID 80980301) is N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)C(N)=O)c1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide?
The InChIKey is QKKHGPCDUMFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6-3-4-9(12)8(5-6)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide?
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.36, 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)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 80980301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).