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

C12H16BrClN2O — CID 113265782

IUPACN-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
SMILESCC(C)C(N)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-7(2)11(15)6-16-12(17)9-5-8(14)3-4-10(9)13/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyBBAILXISIOQAQR-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.82
Rot. Bonds4

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

N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide (PubChem CID 113265782) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
PubChem CID113265782
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC NameN-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
SMILESCC(C)C(N)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-7(2)11(15)6-16-12(17)9-5-8(14)3-4-10(9)13/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyBBAILXISIOQAQR-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide (CID 113265782) is N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide is CC(C)C(N)CNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide?
The InChIKey is BBAILXISIOQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-7(2)11(15)6-16-12(17)9-5-8(14)3-4-10(9)13/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide?
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide has a molecular weight of 319.63 g/mol, XLogP of 2.82, 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)-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 113265782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).