5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide

C11H13BrN2O — CID 62398473

IUPAC5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-6-4-10(6)14-11(15)8-5-7(13)2-3-9(8)12/h2-3,5-6,10H,4,13H2,1H3,(H,14,15)
InChIKeyVUWRUTJMLVIKLR-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.17
Rot. Bonds2

About 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide

5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide (PubChem CID 62398473) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
PubChem CID62398473
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-6-4-10(6)14-11(15)8-5-7(13)2-3-9(8)12/h2-3,5-6,10H,4,13H2,1H3,(H,14,15)
InChIKeyVUWRUTJMLVIKLR-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
4-amino-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 62410186
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide (CID 62398473) is 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide?
The InChIKey is VUWRUTJMLVIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6-4-10(6)14-11(15)8-5-7(13)2-3-9(8)12/h2-3,5-6,10H,4,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide?
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide has a molecular weight of 269.14 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 62398473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).