N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide

C11H11IN4O — CID 60729037

IUPACN-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(I)c1)n1cncn1
InChIInChI=1S/C11H11IN4O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17)
InChIKeyFDJJVOGIOSJSIF-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.08
Rot. Bonds3

About N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60729037) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60729037
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC NameN-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(I)c1)n1cncn1
InChIInChI=1S/C11H11IN4O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17)
InChIKeyFDJJVOGIOSJSIF-UHFFFAOYSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.08
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

2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213174
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 60729037) is N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1cccc(I)c1)n1cncn1.
What is the InChIKey of N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FDJJVOGIOSJSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17).
What are the key properties of N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 342.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60729037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).