2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide

C13H17BrN2O — CID 60866775

IUPAC2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-8-7-10(14)5-6-11(8)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyHJYICYHYPKKUMC-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide

2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide (PubChem CID 60866775) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
PubChem CID60866775
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-8-7-10(14)5-6-11(8)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyHJYICYHYPKKUMC-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60868406
2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
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methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
CID 60867367
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
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N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
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2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959255
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
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CID 97247026
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CID 108958504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide (CID 60866775) is 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide is Cc1cc(Br)ccc1NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide?
The InChIKey is HJYICYHYPKKUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-7-10(14)5-6-11(8)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide?
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide has a molecular weight of 297.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 60866775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).