N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide

C13H17BrN2O — CID 113282155

IUPACN-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCC(N)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-8-6-10(14)4-5-11(8)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyWYSVLJXYKQCVFZ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.22
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide

N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide (PubChem CID 113282155) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
PubChem CID113282155
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCC(N)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-8-6-10(14)4-5-11(8)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyWYSVLJXYKQCVFZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
CID 115301198
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide (CID 113282155) is N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCC(N)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide?
The InChIKey is WYSVLJXYKQCVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-6-10(14)4-5-11(8)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide?
N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide has a molecular weight of 297.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide is sourced from PubChem (CID 113282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).