N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide

C13H18BrIN2O — CID 113265743

IUPACN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H18BrIN2O/c1-8(2)5-10(7-16)17-13(18)11-6-9(14)3-4-12(11)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeySKGYTBCFAAMBQY-UHFFFAOYSA-N
MW425.11 g/mol
LogP3.16
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide (PubChem CID 113265743) has the molecular formula C13H18BrIN2O and a molecular weight of 425.11 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
PubChem CID113265743
Molecular FormulaC13H18BrIN2O
Molecular Weight425.11 g/mol
Exact Mass423.96
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H18BrIN2O/c1-8(2)5-10(7-16)17-13(18)11-6-9(14)3-4-12(11)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeySKGYTBCFAAMBQY-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.11
LogP ≤ 53.16
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

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236
5-bromo-N-(2-chloro-4-methylpentyl)-2-iodobenzamide
CID 114032738
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
CID 119586604
N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933
5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461627
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
CID 107941159
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
CID 113265778
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113344752

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide (CID 113265743) is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide is CC(C)CC(CN)NC(=O)c1cc(Br)ccc1I.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide?
The InChIKey is SKGYTBCFAAMBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrIN2O/c1-8(2)5-10(7-16)17-13(18)11-6-9(14)3-4-12(11)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide?
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide has a molecular weight of 425.11 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide is sourced from PubChem (CID 113265743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).