N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H18N4O2 — CID 32580860

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H18N4O2/c1-2-23-12-20-22-18(23)14-4-3-5-16(11-14)21-19(24)15-6-7-17-13(10-15)8-9-25-17/h3-7,10-12H,2,8-9H2,1H3,(H,21,24)
InChIKeyHJEAMXSLYBXAPN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds4

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 32580860) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID32580860
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H18N4O2/c1-2-23-12-20-22-18(23)14-4-3-5-16(11-14)21-19(24)15-6-7-17-13(10-15)8-9-25-17/h3-7,10-12H,2,8-9H2,1H3,(H,21,24)
InChIKeyHJEAMXSLYBXAPN-UHFFFAOYSA-N
XLogP3.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
3-bromo-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 78875761
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47026541
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 32577002
2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75399246
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 32580860) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HJEAMXSLYBXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-23-12-20-22-18(23)14-4-3-5-16(11-14)21-19(24)15-6-7-17-13(10-15)8-9-25-17/h3-7,10-12H,2,8-9H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 32580860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).