2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide

C11H13BrN2O — CID 79714357

IUPAC2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C11H13BrN2O/c1-14(8-3-4-8)11(15)9-5-2-7(12)6-10(9)13/h2,5-6,8H,3-4,13H2,1H3
InChIKeyXJVMFVYYWBPGQU-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide

2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide (PubChem CID 79714357) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
PubChem CID79714357
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C11H13BrN2O/c1-14(8-3-4-8)11(15)9-5-2-7(12)6-10(9)13/h2,5-6,8H,3-4,13H2,1H3
InChIKeyXJVMFVYYWBPGQU-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
CID 107872003
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide (CID 79714357) is 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1N)C1CC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide?
The InChIKey is XJVMFVYYWBPGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-14(8-3-4-8)11(15)9-5-2-7(12)6-10(9)13/h2,5-6,8H,3-4,13H2,1H3.
What are the key properties of 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide?
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide has a molecular weight of 269.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 79714357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).