2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide

C19H16N4O2 — CID 91653293

IUPAC2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N4O2/c1-13(18-10-14-4-2-3-5-17(14)25-18)19(24)22-15-6-8-16(9-7-15)23-11-20-21-12-23/h2-13H,1H3,(H,22,24)
InChIKeyAVAMITCJUKOYAP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.76
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide

2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide (PubChem CID 91653293) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
PubChem CID91653293
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N4O2/c1-13(18-10-14-4-2-3-5-17(14)25-18)19(24)22-15-6-8-16(9-7-15)23-11-20-21-12-23/h2-13H,1H3,(H,22,24)
InChIKeyAVAMITCJUKOYAP-UHFFFAOYSA-N
XLogP3.76
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
CID 97220819
2-[4-[2-(1-benzofuran-2-yl)propanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697344
2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 42911722
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide (CID 91653293) is 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The InChIKey is AVAMITCJUKOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13(18-10-14-4-2-3-5-17(14)25-18)19(24)22-15-6-8-16(9-7-15)23-11-20-21-12-23/h2-13H,1H3,(H,22,24).
What are the key properties of 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide has a molecular weight of 332.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 91653293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).