N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide

C11H13BrN2O2 — CID 171390408

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-6-3-4-8(5-9(6)12)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1
InChIKeyZYBJZQLOEMAVNB-SSDOTTSWSA-N
MW285.14 g/mol
LogP1.36
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide (PubChem CID 171390408) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
PubChem CID171390408
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-6-3-4-8(5-9(6)12)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1
InChIKeyZYBJZQLOEMAVNB-SSDOTTSWSA-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

Analyze N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81448480
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
3-bromo-N-[1-(2,6-difluorophenyl)ethyl]-4-methylbenzamide
CID 81457778

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide (CID 171390408) is N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)C(N)=O)cc1Br.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide?
The InChIKey is ZYBJZQLOEMAVNB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6-3-4-8(5-9(6)12)11(16)14-7(2)10(13)15/h3-5,7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-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-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide is sourced from PubChem (CID 171390408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).