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

C13H16INO — CID 103713511

IUPAC3-iodo-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cccc(I)c1
InChIInChI=1S/C13H16INO/c1-2-4-9-8-12(9)15-13(16)10-5-3-6-11(14)7-10/h3,5-7,9,12H,2,4,8H2,1H3,(H,15,16)
InChIKeyCSNOPVIYKFCBKK-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.21
Rot. Bonds4

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

3-iodo-N-(2-propylcyclopropyl)benzamide (PubChem CID 103713511) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 3-iodo-N-(2-propylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-propylcyclopropyl)benzamide
PubChem CID103713511
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name3-iodo-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cccc(I)c1
InChIInChI=1S/C13H16INO/c1-2-4-9-8-12(9)15-13(16)10-5-3-6-11(14)7-10/h3,5-7,9,12H,2,4,8H2,1H3,(H,15,16)
InChIKeyCSNOPVIYKFCBKK-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
CID 112750965
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
3-hydroxy-2-methyl-N-(2-propylcyclopropyl)benzamide
CID 103873583
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
N-(2-ethylcyclopropyl)benzamide
CID 103669419
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
6-amino-N-(2-propylcyclopropyl)pyridine-2-carboxamide
CID 103832172
N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
CID 103864238
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-propylcyclopropyl)benzamide?
The IUPAC name of 3-iodo-N-(2-propylcyclopropyl)benzamide (CID 103713511) is 3-iodo-N-(2-propylcyclopropyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-propylcyclopropyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-propylcyclopropyl)benzamide is CCCC1CC1NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-propylcyclopropyl)benzamide?
The InChIKey is CSNOPVIYKFCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-2-4-9-8-12(9)15-13(16)10-5-3-6-11(14)7-10/h3,5-7,9,12H,2,4,8H2,1H3,(H,15,16).
What are the key properties of 3-iodo-N-(2-propylcyclopropyl)benzamide?
3-iodo-N-(2-propylcyclopropyl)benzamide has a molecular weight of 329.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-propylcyclopropyl)benzamide is sourced from PubChem (CID 103713511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).