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

C12H16BrIN2O — CID 113265778

IUPACN-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
SMILESCC(C)C(N)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C12H16BrIN2O/c1-7(2)11(15)6-16-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyFRTOWRFQOMRMQN-UHFFFAOYSA-N
MW411.08 g/mol
LogP2.77
Rot. Bonds4

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

N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide (PubChem CID 113265778) has the molecular formula C12H16BrIN2O and a molecular weight of 411.08 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
PubChem CID113265778
Molecular FormulaC12H16BrIN2O
Molecular Weight411.08 g/mol
Exact Mass409.95
IUPAC NameN-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
SMILESCC(C)C(N)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C12H16BrIN2O/c1-7(2)11(15)6-16-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyFRTOWRFQOMRMQN-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.08
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
5-bromo-N-(2-chloro-4-methylpentyl)-2-iodobenzamide
CID 114032738
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
2-[[(5-bromo-2-iodobenzoyl)amino]methyl]butanoic acid
CID 65219422
4-[(5-bromo-2-iodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153091
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
1-(5-bromo-2-iodophenyl)-2,3-dimethylbutan-1-one
CID 130624288
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 114033241

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide (CID 113265778) is N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide is CC(C)C(N)CNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide?
The InChIKey is FRTOWRFQOMRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O/c1-7(2)11(15)6-16-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide?
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide has a molecular weight of 411.08 g/mol, XLogP of 2.77, 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-iodobenzamide is sourced from PubChem (CID 113265778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).