N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide

C11H13BrN2O3 — CID 171385160

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)C(N)=O)c1Br
InChIInChI=1S/C11H13BrN2O3/c1-6(10(13)15)14-11(16)7-4-3-5-8(17-2)9(7)12/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyXBQOFAPXWDAXIO-LURJTMIESA-N
MW301.14 g/mol
LogP1.06
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide (PubChem CID 171385160) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
PubChem CID171385160
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)C(N)=O)c1Br
InChIInChI=1S/C11H13BrN2O3/c1-6(10(13)15)14-11(16)7-4-3-5-8(17-2)9(7)12/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyXBQOFAPXWDAXIO-LURJTMIESA-N
XLogP1.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
CID 172648061
2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
CID 167135250
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
CID 51931809
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847927
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide (CID 171385160) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](C)C(N)=O)c1Br.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide?
The InChIKey is XBQOFAPXWDAXIO-LURJTMIESA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6(10(13)15)14-11(16)7-4-3-5-8(17-2)9(7)12/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide has a molecular weight of 301.14 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide is sourced from PubChem (CID 171385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).