N'-hydroxy-N-iodo-N'-phenylbutanediamide

C10H11IN2O3 — CID 174647089

IUPACN'-hydroxy-N-iodo-N'-phenylbutanediamide
SMILESO=C(CCC(=O)N(O)c1ccccc1)NI
InChIInChI=1S/C10H11IN2O3/c11-12-9(14)6-7-10(15)13(16)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,14)
InChIKeyUJFDUTYPSWHENQ-UHFFFAOYSA-N
MW334.11 g/mol
LogP1.66
Rot. Bonds4

About N'-hydroxy-N-iodo-N'-phenylbutanediamide

N'-hydroxy-N-iodo-N'-phenylbutanediamide (PubChem CID 174647089) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is N'-hydroxy-N-iodo-N'-phenylbutanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-iodo-N'-phenylbutanediamide
PubChem CID174647089
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC NameN'-hydroxy-N-iodo-N'-phenylbutanediamide
SMILESO=C(CCC(=O)N(O)c1ccccc1)NI
InChIInChI=1S/C10H11IN2O3/c11-12-9(14)6-7-10(15)13(16)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,14)
InChIKeyUJFDUTYPSWHENQ-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-iodo-N'-phenylbutanediamide?
The IUPAC name of N'-hydroxy-N-iodo-N'-phenylbutanediamide (CID 174647089) is N'-hydroxy-N-iodo-N'-phenylbutanediamide.
What is the SMILES notation for N'-hydroxy-N-iodo-N'-phenylbutanediamide?
The canonical SMILES for N'-hydroxy-N-iodo-N'-phenylbutanediamide is O=C(CCC(=O)N(O)c1ccccc1)NI.
What is the InChIKey of N'-hydroxy-N-iodo-N'-phenylbutanediamide?
The InChIKey is UJFDUTYPSWHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c11-12-9(14)6-7-10(15)13(16)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,14).
What are the key properties of N'-hydroxy-N-iodo-N'-phenylbutanediamide?
N'-hydroxy-N-iodo-N'-phenylbutanediamide has a molecular weight of 334.11 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-iodo-N'-phenylbutanediamide is sourced from PubChem (CID 174647089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).