N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide

C17H15N5O4 — CID 167924236

IUPACN-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N5O4/c1-10(23)18-13-4-2-3-5-14(13)19-15(24)11-6-8-12(9-7-11)22-17(26)20-16(25)21-22/h2-9H,1H3,(H,18,23)(H,19,24)(H2,20,21,25,26)
InChIKeySIMRBXFSAJXUPA-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.06
Rot. Bonds4

About N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide

N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide (PubChem CID 167924236) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide
PubChem CID167924236
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N5O4/c1-10(23)18-13-4-2-3-5-14(13)19-15(24)11-6-8-12(9-7-11)22-17(26)20-16(25)21-22/h2-9H,1H3,(H,18,23)(H,19,24)(H2,20,21,25,26)
InChIKeySIMRBXFSAJXUPA-UHFFFAOYSA-N
XLogP1.06
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
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[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
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4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
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4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide?
The IUPAC name of N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide (CID 167924236) is N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide?
The canonical SMILES for N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide is CC(=O)Nc1ccccc1NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide?
The InChIKey is SIMRBXFSAJXUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-10(23)18-13-4-2-3-5-14(13)19-15(24)11-6-8-12(9-7-11)22-17(26)20-16(25)21-22/h2-9H,1H3,(H,18,23)(H,19,24)(H2,20,21,25,26).
What are the key properties of N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide?
N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide has a molecular weight of 353.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzamide is sourced from PubChem (CID 167924236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).