N-(3,4-diiodophenyl)-3-oxobutanamide

C10H9I2NO2 — CID 19862154

IUPACN-(3,4-diiodophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(I)c(I)c1
InChIInChI=1S/C10H9I2NO2/c1-6(14)4-10(15)13-7-2-3-8(11)9(12)5-7/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyYPOHDEQSHXHWDQ-UHFFFAOYSA-N
MW429.00 g/mol
LogP2.81
Rot. Bonds3

About N-(3,4-diiodophenyl)-3-oxobutanamide

N-(3,4-diiodophenyl)-3-oxobutanamide (PubChem CID 19862154) has the molecular formula C10H9I2NO2 and a molecular weight of 429.00 g/mol. Its IUPAC name is N-(3,4-diiodophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-diiodophenyl)-3-oxobutanamide
PubChem CID19862154
Molecular FormulaC10H9I2NO2
Molecular Weight429.00 g/mol
Exact Mass428.87
IUPAC NameN-(3,4-diiodophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(I)c(I)c1
InChIInChI=1S/C10H9I2NO2/c1-6(14)4-10(15)13-7-2-3-8(11)9(12)5-7/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyYPOHDEQSHXHWDQ-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.00
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
3-oxo-N-phenylbutanamide
CID 161275903
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513215
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diiodophenyl)-3-oxobutanamide?
The IUPAC name of N-(3,4-diiodophenyl)-3-oxobutanamide (CID 19862154) is N-(3,4-diiodophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(3,4-diiodophenyl)-3-oxobutanamide?
The canonical SMILES for N-(3,4-diiodophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(I)c(I)c1.
What is the InChIKey of N-(3,4-diiodophenyl)-3-oxobutanamide?
The InChIKey is YPOHDEQSHXHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I2NO2/c1-6(14)4-10(15)13-7-2-3-8(11)9(12)5-7/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of N-(3,4-diiodophenyl)-3-oxobutanamide?
N-(3,4-diiodophenyl)-3-oxobutanamide has a molecular weight of 429.00 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diiodophenyl)-3-oxobutanamide is sourced from PubChem (CID 19862154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).