N-(1-aminopropan-2-yl)-3-iodobenzamide

C10H13IN2O — CID 63733818

IUPACN-(1-aminopropan-2-yl)-3-iodobenzamide
SMILESCC(CN)NC(=O)c1cccc(I)c1
InChIInChI=1S/C10H13IN2O/c1-7(6-12)13-10(14)8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyQNBXWHNACXPIDK-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.37
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-iodobenzamide

N-(1-aminopropan-2-yl)-3-iodobenzamide (PubChem CID 63733818) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-iodobenzamide
PubChem CID63733818
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC NameN-(1-aminopropan-2-yl)-3-iodobenzamide
SMILESCC(CN)NC(=O)c1cccc(I)c1
InChIInChI=1S/C10H13IN2O/c1-7(6-12)13-10(14)8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyQNBXWHNACXPIDK-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.37
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

3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-iodobenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-iodobenzamide (CID 63733818) is N-(1-aminopropan-2-yl)-3-iodobenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-iodobenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-iodobenzamide is CC(CN)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-iodobenzamide?
The InChIKey is QNBXWHNACXPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-7(6-12)13-10(14)8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of N-(1-aminopropan-2-yl)-3-iodobenzamide?
N-(1-aminopropan-2-yl)-3-iodobenzamide has a molecular weight of 304.13 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-iodobenzamide is sourced from PubChem (CID 63733818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).