3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide

C13H17BrN2O — CID 113366949

IUPAC3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C13H17BrN2O/c1-8(9-6-7-9)16(2)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyLKVOIWXVCSFRER-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide

3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide (PubChem CID 113366949) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
PubChem CID113366949
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C13H17BrN2O/c1-8(9-6-7-9)16(2)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyLKVOIWXVCSFRER-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.90
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-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 43420538
4-amino-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 81242644
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568611
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936543
(3-amino-2-bromophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113416735
N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide (CID 113366949) is 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The InChIKey is LKVOIWXVCSFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8(9-6-7-9)16(2)13(17)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide has a molecular weight of 297.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide is sourced from PubChem (CID 113366949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).