N-(3-iodophenyl)-3-(triazol-1-yl)propanamide

C11H11IN4O — CID 60725374

IUPACN-(3-iodophenyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cccc(I)c1
InChIInChI=1S/C11H11IN4O/c12-9-2-1-3-10(8-9)14-11(17)4-6-16-7-5-13-15-16/h1-3,5,7-8H,4,6H2,(H,14,17)
InChIKeyOCIGCUXRLJSLFQ-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.91
Rot. Bonds4

About N-(3-iodophenyl)-3-(triazol-1-yl)propanamide

N-(3-iodophenyl)-3-(triazol-1-yl)propanamide (PubChem CID 60725374) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-(triazol-1-yl)propanamide
PubChem CID60725374
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC NameN-(3-iodophenyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cccc(I)c1
InChIInChI=1S/C11H11IN4O/c12-9-2-1-3-10(8-9)14-11(17)4-6-16-7-5-13-15-16/h1-3,5,7-8H,4,6H2,(H,14,17)
InChIKeyOCIGCUXRLJSLFQ-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-3-(triazol-1-yl)propanamide
CID 119052003

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(3-iodophenyl)-3-(triazol-1-yl)propanamide (CID 60725374) is N-(3-iodophenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-iodophenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(3-iodophenyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is OCIGCUXRLJSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c12-9-2-1-3-10(8-9)14-11(17)4-6-16-7-5-13-15-16/h1-3,5,7-8H,4,6H2,(H,14,17).
What are the key properties of N-(3-iodophenyl)-3-(triazol-1-yl)propanamide?
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 342.14 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 60725374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).