N-[3-(cyclopropylamino)propyl]-2-iodobenzamide

C13H17IN2O — CID 43596355

IUPACN-[3-(cyclopropylamino)propyl]-2-iodobenzamide
SMILESO=C(NCCCNC1CC1)c1ccccc1I
InChIInChI=1S/C13H17IN2O/c14-12-5-2-1-4-11(12)13(17)16-9-3-8-15-10-6-7-10/h1-2,4-5,10,15H,3,6-9H2,(H,16,17)
InChIKeyITNMVDYFEATNIT-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.16
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-2-iodobenzamide

N-[3-(cyclopropylamino)propyl]-2-iodobenzamide (PubChem CID 43596355) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2-iodobenzamide
PubChem CID43596355
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC NameN-[3-(cyclopropylamino)propyl]-2-iodobenzamide
SMILESO=C(NCCCNC1CC1)c1ccccc1I
InChIInChI=1S/C13H17IN2O/c14-12-5-2-1-4-11(12)13(17)16-9-3-8-15-10-6-7-10/h1-2,4-5,10,15H,3,6-9H2,(H,16,17)
InChIKeyITNMVDYFEATNIT-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.16
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

5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
N-[3-(cyclopropylamino)propyl]-2-nitrobenzamide
CID 43596318
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
2-iodo-N-pent-4-ynylbenzamide
CID 103709110

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2-iodobenzamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2-iodobenzamide (CID 43596355) is N-[3-(cyclopropylamino)propyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2-iodobenzamide is O=C(NCCCNC1CC1)c1ccccc1I.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2-iodobenzamide?
The InChIKey is ITNMVDYFEATNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-12-5-2-1-4-11(12)13(17)16-9-3-8-15-10-6-7-10/h1-2,4-5,10,15H,3,6-9H2,(H,16,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2-iodobenzamide?
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide has a molecular weight of 344.20 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2-iodobenzamide is sourced from PubChem (CID 43596355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).