3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide

C13H17IN2O — CID 112750965

IUPAC3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C13H17IN2O/c1-2-3-8-6-12(8)16-13(17)9-4-10(14)7-11(15)5-9/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyLWQMLZKBIMZICR-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide

3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide (PubChem CID 112750965) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
PubChem CID112750965
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C13H17IN2O/c1-2-3-8-6-12(8)16-13(17)9-4-10(14)7-11(15)5-9/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyLWQMLZKBIMZICR-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
6-amino-N-(2-propylcyclopropyl)pyridine-2-carboxamide
CID 103832172
2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
CID 104589720
2-methyl-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 113246084
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide?
The IUPAC name of 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide (CID 112750965) is 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide.
What is the SMILES notation for 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide?
The canonical SMILES for 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide is CCCC1CC1NC(=O)c1cc(N)cc(I)c1.
What is the InChIKey of 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide?
The InChIKey is LWQMLZKBIMZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-2-3-8-6-12(8)16-13(17)9-4-10(14)7-11(15)5-9/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide?
3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide has a molecular weight of 344.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide is sourced from PubChem (CID 112750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).