3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide

C12H15BrN2O2 — CID 107872966

IUPAC3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCOC1
InChIInChI=1S/C12H15BrN2O2/c1-7-10(4-8(13)5-11(7)14)12(16)15-9-2-3-17-6-9/h4-5,9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyAFNPFVWNPPNHOG-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.86
Rot. Bonds2

About 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide

3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 107872966) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
PubChem CID107872966
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCOC1
InChIInChI=1S/C12H15BrN2O2/c1-7-10(4-8(13)5-11(7)14)12(16)15-9-2-3-17-6-9/h4-5,9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyAFNPFVWNPPNHOG-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
3-amino-5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872231
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide (CID 107872966) is 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide is Cc1c(N)cc(Br)cc1C(=O)NC1CCOC1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is AFNPFVWNPPNHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-10(4-8(13)5-11(7)14)12(16)15-9-2-3-17-6-9/h4-5,9H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide?
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 107872966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).