N-(2-amino-2-methylpropyl)-3-iodobenzamide

C11H15IN2O — CID 81482556

IUPACN-(2-amino-2-methylpropyl)-3-iodobenzamide
SMILESCC(C)(N)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-11(2,13)7-14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyVXNGHEOJPFDYLE-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.76
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-3-iodobenzamide

N-(2-amino-2-methylpropyl)-3-iodobenzamide (PubChem CID 81482556) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-iodobenzamide
PubChem CID81482556
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-(2-amino-2-methylpropyl)-3-iodobenzamide
SMILESCC(C)(N)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-11(2,13)7-14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyVXNGHEOJPFDYLE-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.76
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

3-[(3-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368761
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-iodobenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-iodobenzamide (CID 81482556) is N-(2-amino-2-methylpropyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-iodobenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-iodobenzamide is CC(C)(N)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-iodobenzamide?
The InChIKey is VXNGHEOJPFDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-11(2,13)7-14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-2-methylpropyl)-3-iodobenzamide?
N-(2-amino-2-methylpropyl)-3-iodobenzamide has a molecular weight of 318.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-iodobenzamide is sourced from PubChem (CID 81482556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).