N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide

C13H19BrN2O — CID 65311918

IUPACN-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(N)C(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)12(15)7-16-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyPPLAMTXDSAHNCU-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.47
Rot. Bonds4

About N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide

N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide (PubChem CID 65311918) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
PubChem CID65311918
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(N)C(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)12(15)7-16-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyPPLAMTXDSAHNCU-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide (CID 65311918) is N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC(N)C(C)C.
What is the InChIKey of N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide?
The InChIKey is PPLAMTXDSAHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)12(15)7-16-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12H,7,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide?
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide has a molecular weight of 299.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide is sourced from PubChem (CID 65311918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).