N-(acetylcarbamoyl)carbamoyl iodide

C4H5IN2O3 — CID 163909859

IUPACN-(acetylcarbamoyl)carbamoyl iodide
SMILESCC(=O)NC(=O)NC(=O)I
InChIInChI=1S/C4H5IN2O3/c1-2(8)6-4(10)7-3(5)9/h1H3,(H2,6,7,8,9,10)
InChIKeyQRDMLMIUZXVMPJ-UHFFFAOYSA-N
MW256.00 g/mol
LogP0.39
Rot. Bonds

About N-(acetylcarbamoyl)carbamoyl iodide

N-(acetylcarbamoyl)carbamoyl iodide (PubChem CID 163909859) has the molecular formula C4H5IN2O3 and a molecular weight of 256.00 g/mol. Its IUPAC name is N-(acetylcarbamoyl)carbamoyl iodide.

Molecular Properties

Compound NameN-(acetylcarbamoyl)carbamoyl iodide
PubChem CID163909859
Molecular FormulaC4H5IN2O3
Molecular Weight256.00 g/mol
Exact Mass255.93
IUPAC NameN-(acetylcarbamoyl)carbamoyl iodide
SMILESCC(=O)NC(=O)NC(=O)I
InChIInChI=1S/C4H5IN2O3/c1-2(8)6-4(10)7-3(5)9/h1H3,(H2,6,7,8,9,10)
InChIKeyQRDMLMIUZXVMPJ-UHFFFAOYSA-N
XLogP0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.00
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335
tris(N-acetylacetamide);gallane
CID 175572719
N-(acetylcarbamoyl)-2,2-dimethylbutanamide
CID 130010844
N-(acetylcarbamoyl)pentanamide
CID 57354637
ethane;N-ethanethioylacetamide
CID 142038658
methylamino N-carboniodidoylcarbamate
CID 163815032
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-acetyl-2-chloroacetamide
CID 2366697
S-amino N-acetylcarbamothioate
CID 130016422
methyl (Z)-2-acetamido-3-iodoprop-2-enoate
CID 15940885
N-hydroxysulfanylacetamide
CID 88522528
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248

Frequently Asked Questions

What is the IUPAC name of N-(acetylcarbamoyl)carbamoyl iodide?
The IUPAC name of N-(acetylcarbamoyl)carbamoyl iodide (CID 163909859) is N-(acetylcarbamoyl)carbamoyl iodide.
What is the SMILES notation for N-(acetylcarbamoyl)carbamoyl iodide?
The canonical SMILES for N-(acetylcarbamoyl)carbamoyl iodide is CC(=O)NC(=O)NC(=O)I.
What is the InChIKey of N-(acetylcarbamoyl)carbamoyl iodide?
The InChIKey is QRDMLMIUZXVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O3/c1-2(8)6-4(10)7-3(5)9/h1H3,(H2,6,7,8,9,10).
What are the key properties of N-(acetylcarbamoyl)carbamoyl iodide?
N-(acetylcarbamoyl)carbamoyl iodide has a molecular weight of 256.00 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetylcarbamoyl)carbamoyl iodide is sourced from PubChem (CID 163909859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).