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

C18H17N5O — CID 167780536

IUPAC2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(CC1NCc2ccccc21)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H17N5O/c24-18(9-17-16-7-2-1-4-13(16)10-19-17)22-14-5-3-6-15(8-14)23-11-20-21-12-23/h1-8,11-12,17,19H,9-10H2,(H,22,24)
InChIKeySELRDVOJHRJWON-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.44
Rot. Bonds4

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

2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 167780536) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID167780536
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(CC1NCc2ccccc21)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H17N5O/c24-18(9-17-16-7-2-1-4-13(16)10-19-17)22-14-5-3-6-15(8-14)23-11-20-21-12-23/h1-8,11-12,17,19H,9-10H2,(H,22,24)
InChIKeySELRDVOJHRJWON-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 60851422
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-[3-(1,2,4-triazol-4-yl)phenyl]thiomorpholine-3-carboxamide
CID 82905705
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 166329396
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
CID 75394584
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 91639882
2-(1,3-dihydro-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]acetamide
CID 167821654
N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51054016
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
CID 167826371
2-(2,3-dihydro-1H-isoindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 115104686
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 146022743

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 167780536) is 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is O=C(CC1NCc2ccccc21)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is SELRDVOJHRJWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(9-17-16-7-2-1-4-13(16)10-19-17)22-14-5-3-6-15(8-14)23-11-20-21-12-23/h1-8,11-12,17,19H,9-10H2,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 319.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 167780536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).