N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide

C24H21N5O2 — CID 55990783

IUPACN-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H21N5O2/c30-21(15-17-9-3-1-4-10-17)25-16-22(31)26-20-14-8-7-13-19(20)24-27-23(28-29-24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,30)(H,26,31)(H,27,28,29)
InChIKeyIOTOVPPCJDSLHR-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.44
Rot. Bonds7

About N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide

N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide (PubChem CID 55990783) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
PubChem CID55990783
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H21N5O2/c30-21(15-17-9-3-1-4-10-17)25-16-22(31)26-20-14-8-7-13-19(20)24-27-23(28-29-24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,30)(H,26,31)(H,27,28,29)
InChIKeyIOTOVPPCJDSLHR-UHFFFAOYSA-N
XLogP3.44
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56684744
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55990529
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 86820912
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55991293
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55991546
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55991295
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55732033
2-butyl-4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55990409

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide (CID 55990783) is N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide?
The InChIKey is IOTOVPPCJDSLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-21(15-17-9-3-1-4-10-17)25-16-22(31)26-20-14-8-7-13-19(20)24-27-23(28-29-24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,30)(H,26,31)(H,27,28,29).
What are the key properties of N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide?
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide has a molecular weight of 411.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 55990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).