N-(2-amino-2-oxoethyl)-4-iodobenzamide

C9H9IN2O2 — CID 60668486

IUPACN-(2-amino-2-oxoethyl)-4-iodobenzamide
SMILESNC(=O)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2O2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyWYHXHSILZIPGAD-UHFFFAOYSA-N
MW304.09 g/mol
LogP0.51
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-4-iodobenzamide

N-(2-amino-2-oxoethyl)-4-iodobenzamide (PubChem CID 60668486) has the molecular formula C9H9IN2O2 and a molecular weight of 304.09 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-iodobenzamide
PubChem CID60668486
Molecular FormulaC9H9IN2O2
Molecular Weight304.09 g/mol
Exact Mass303.97
IUPAC NameN-(2-amino-2-oxoethyl)-4-iodobenzamide
SMILESNC(=O)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2O2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyWYHXHSILZIPGAD-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 71438252
CID 71438252
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
CID 87933857
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide
CID 86878003
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-iodobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-iodobenzamide (CID 60668486) is N-(2-amino-2-oxoethyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-iodobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-iodobenzamide is NC(=O)CNC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-iodobenzamide?
The InChIKey is WYHXHSILZIPGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-4-iodobenzamide?
N-(2-amino-2-oxoethyl)-4-iodobenzamide has a molecular weight of 304.09 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-iodobenzamide is sourced from PubChem (CID 60668486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).