2-iodoacetamide;2-iodoacetohydrazide;stilbene

C18H21I2N3O2 — CID 174899327

IUPAC2-iodoacetamide;2-iodoacetohydrazide;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.NC(=O)CI.NNC(=O)CI
InChIInChI=1S/C14H12.C2H5IN2O.C2H4INO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-2(6)5-4;3-1-2(4)5/h1-12H;1,4H2,(H,5,6);1H2,(H2,4,5)
InChIKeyPQRACGLCMXXOSV-UHFFFAOYSA-N
MW565.19 g/mol
LogP3.17
Rot. Bonds4

About 2-iodoacetamide;2-iodoacetohydrazide;stilbene

2-iodoacetamide;2-iodoacetohydrazide;stilbene (PubChem CID 174899327) has the molecular formula C18H21I2N3O2 and a molecular weight of 565.19 g/mol. Its IUPAC name is 2-iodoacetamide;2-iodoacetohydrazide;stilbene.

Molecular Properties

Compound Name2-iodoacetamide;2-iodoacetohydrazide;stilbene
PubChem CID174899327
Molecular FormulaC18H21I2N3O2
Molecular Weight565.19 g/mol
Exact Mass564.97
IUPAC Name2-iodoacetamide;2-iodoacetohydrazide;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.NC(=O)CI.NNC(=O)CI
InChIInChI=1S/C14H12.C2H5IN2O.C2H4INO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-2(6)5-4;3-1-2(4)5/h1-12H;1,4H2,(H,5,6);1H2,(H2,4,5)
InChIKeyPQRACGLCMXXOSV-UHFFFAOYSA-N
XLogP3.17
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.19
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenylbut-3-enehydrazide
CID 173237990
2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
CID 155542685
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
ethyl carbamate;stilbene
CID 175156091
propanedioate;(E)-stilbene
CID 19773481
acetic acid;stilbene
CID 172803728
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
2-iodoacetamide;phenylmethanesulfonyl fluoride
CID 88669921
carbonic acid;2-phenylethenamine
CID 173134813
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794

Frequently Asked Questions

What is the IUPAC name of 2-iodoacetamide;2-iodoacetohydrazide;stilbene?
The IUPAC name of 2-iodoacetamide;2-iodoacetohydrazide;stilbene (CID 174899327) is 2-iodoacetamide;2-iodoacetohydrazide;stilbene.
What is the SMILES notation for 2-iodoacetamide;2-iodoacetohydrazide;stilbene?
The canonical SMILES for 2-iodoacetamide;2-iodoacetohydrazide;stilbene is C(=Cc1ccccc1)c1ccccc1.NC(=O)CI.NNC(=O)CI.
What is the InChIKey of 2-iodoacetamide;2-iodoacetohydrazide;stilbene?
The InChIKey is PQRACGLCMXXOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C2H5IN2O.C2H4INO/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-2(6)5-4;3-1-2(4)5/h1-12H;1,4H2,(H,5,6);1H2,(H2,4,5).
What are the key properties of 2-iodoacetamide;2-iodoacetohydrazide;stilbene?
2-iodoacetamide;2-iodoacetohydrazide;stilbene has a molecular weight of 565.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoacetamide;2-iodoacetohydrazide;stilbene is sourced from PubChem (CID 174899327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).