N-(3-aminopropyl)-3-iodobenzamide

C10H13IN2O — CID 28978873

IUPACN-(3-aminopropyl)-3-iodobenzamide
SMILESNCCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C10H13IN2O/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12/h1,3-4,7H,2,5-6,12H2,(H,13,14)
InChIKeyJSKDMWKBEYNGJS-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.37
Rot. Bonds4

About N-(3-aminopropyl)-3-iodobenzamide

N-(3-aminopropyl)-3-iodobenzamide (PubChem CID 28978873) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-iodobenzamide
PubChem CID28978873
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC NameN-(3-aminopropyl)-3-iodobenzamide
SMILESNCCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C10H13IN2O/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12/h1,3-4,7H,2,5-6,12H2,(H,13,14)
InChIKeyJSKDMWKBEYNGJS-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-iodobenzamide?
The IUPAC name of N-(3-aminopropyl)-3-iodobenzamide (CID 28978873) is N-(3-aminopropyl)-3-iodobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-iodobenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-iodobenzamide is NCCCNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(3-aminopropyl)-3-iodobenzamide?
The InChIKey is JSKDMWKBEYNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12/h1,3-4,7H,2,5-6,12H2,(H,13,14).
What are the key properties of N-(3-aminopropyl)-3-iodobenzamide?
N-(3-aminopropyl)-3-iodobenzamide has a molecular weight of 304.13 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-iodobenzamide is sourced from PubChem (CID 28978873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).