N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide

C10H11IN2O4 — CID 106164507

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C10H11IN2O4/c11-6-2-1-5(3-7(6)14)10(17)13-4-8(15)9(12)16/h1-3,8,14-15H,4H2,(H2,12,16)(H,13,17)
InChIKeyGNJSCDRUUAUKGC-UHFFFAOYSA-N
MW350.11 g/mol
LogP-0.43
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide (PubChem CID 106164507) has the molecular formula C10H11IN2O4 and a molecular weight of 350.11 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
PubChem CID106164507
Molecular FormulaC10H11IN2O4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C10H11IN2O4/c11-6-2-1-5(3-7(6)14)10(17)13-4-8(15)9(12)16/h1-3,8,14-15H,4H2,(H2,12,16)(H,13,17)
InChIKeyGNJSCDRUUAUKGC-UHFFFAOYSA-N
XLogP-0.43
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide (CID 106164507) is N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide is NC(=O)C(O)CNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is GNJSCDRUUAUKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O4/c11-6-2-1-5(3-7(6)14)10(17)13-4-8(15)9(12)16/h1-3,8,14-15H,4H2,(H2,12,16)(H,13,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 350.11 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 106164507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).