2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide

C19H18N4O2 — CID 167821654

IUPAC2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide
SMILESO=C(CC1OCc2ccccc21)Nc1cccc(Cn2cnnc2)c1
InChIInChI=1S/C19H18N4O2/c24-19(9-18-17-7-2-1-5-15(17)11-25-18)22-16-6-3-4-14(8-16)10-23-12-20-21-13-23/h1-8,12-13,18H,9-11H2,(H,22,24)
InChIKeyVPUWSFZIGSOPQO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.93
Rot. Bonds5

About 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide

2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide (PubChem CID 167821654) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide
PubChem CID167821654
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide
SMILESO=C(CC1OCc2ccccc21)Nc1cccc(Cn2cnnc2)c1
InChIInChI=1S/C19H18N4O2/c24-19(9-18-17-7-2-1-5-15(17)11-25-18)22-16-6-3-4-14(8-16)10-23-12-20-21-13-23/h1-8,12-13,18H,9-11H2,(H,22,24)
InChIKeyVPUWSFZIGSOPQO-UHFFFAOYSA-N
XLogP2.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
CID 75394584
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide
CID 100614888
2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 167780536
N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 97082587
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 155955800
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
CID 99818724
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 146022743
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
(E)-3-(1,3-benzothiazol-2-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]prop-2-enamide
CID 75375301

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide (CID 167821654) is 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide is O=C(CC1OCc2ccccc21)Nc1cccc(Cn2cnnc2)c1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide?
The InChIKey is VPUWSFZIGSOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(9-18-17-7-2-1-5-15(17)11-25-18)22-16-6-3-4-14(8-16)10-23-12-20-21-13-23/h1-8,12-13,18H,9-11H2,(H,22,24).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide?
2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 167821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).