3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide

C11H15BrN2O3 — CID 114011367

IUPAC3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(CO)CO
InChIInChI=1S/C11H15BrN2O3/c1-6-9(2-7(12)3-10(6)13)11(17)14-8(4-15)5-16/h2-3,8,15-16H,4-5,13H2,1H3,(H,14,17)
InChIKeyWAFYURXGCKXKCS-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide

3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide (PubChem CID 114011367) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
PubChem CID114011367
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(CO)CO
InChIInChI=1S/C11H15BrN2O3/c1-6-9(2-7(12)3-10(6)13)11(17)14-8(4-15)5-16/h2-3,8,15-16H,4-5,13H2,1H3,(H,14,17)
InChIKeyWAFYURXGCKXKCS-UHFFFAOYSA-N
XLogP0.42
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
CID 107872505
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide (CID 114011367) is 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC(CO)CO.
What is the InChIKey of 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide?
The InChIKey is WAFYURXGCKXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-6-9(2-7(12)3-10(6)13)11(17)14-8(4-15)5-16/h2-3,8,15-16H,4-5,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide?
3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide has a molecular weight of 303.16 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 114011367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).