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

C11H15IN2O2 — CID 64539149

IUPACN-(2-amino-3-hydroxybutyl)-3-iodobenzamide
SMILESCC(O)C(N)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H15IN2O2/c1-7(15)10(13)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)
InChIKeyCRJLJYLDDIEAHC-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.73
Rot. Bonds4

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

N-(2-amino-3-hydroxybutyl)-3-iodobenzamide (PubChem CID 64539149) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3-iodobenzamide
PubChem CID64539149
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC NameN-(2-amino-3-hydroxybutyl)-3-iodobenzamide
SMILESCC(O)C(N)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H15IN2O2/c1-7(15)10(13)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)
InChIKeyCRJLJYLDDIEAHC-UHFFFAOYSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3-iodobenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3-iodobenzamide (CID 64539149) is N-(2-amino-3-hydroxybutyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3-iodobenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3-iodobenzamide is CC(O)C(N)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3-iodobenzamide?
The InChIKey is CRJLJYLDDIEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-7(15)10(13)6-14-11(16)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3-iodobenzamide?
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide has a molecular weight of 334.16 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-3-iodobenzamide is sourced from PubChem (CID 64539149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).