N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide

C18H14N8O2 — CID 23991813

IUPACN-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1-c1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C18H14N8O2/c27-17(23-25-9-19-20-10-25)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(28)24-26-11-21-22-12-26/h1-12H,(H,23,27)(H,24,28)
InChIKeyWNGVWHPGPFDBIU-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.30
Rot. Bonds5

About N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide

N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide (PubChem CID 23991813) has the molecular formula C18H14N8O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
PubChem CID23991813
Molecular FormulaC18H14N8O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1-c1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C18H14N8O2/c27-17(23-25-9-19-20-10-25)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(28)24-26-11-21-22-12-26/h1-12H,(H,23,27)(H,24,28)
InChIKeyWNGVWHPGPFDBIU-UHFFFAOYSA-N
XLogP1.30
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369565
7-chloro-9-oxo-N-(1,2,4-triazol-4-yl)fluorene-1-carboxamide
CID 56760465
2-chloro-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 2374505
2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 936109
2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 21369499
N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
CID 70008236
2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide;2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide;oxalic acid
CID 67367317
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
2-methyl-N-(1,2,4-triazol-4-yl)propanamide
CID 3617989
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108506085

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide (CID 23991813) is N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide is O=C(Nn1cnnc1)c1ccccc1-c1ccccc1C(=O)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The InChIKey is WNGVWHPGPFDBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O2/c27-17(23-25-9-19-20-10-25)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(28)24-26-11-21-22-12-26/h1-12H,(H,23,27)(H,24,28).
What are the key properties of N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide has a molecular weight of 374.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 23991813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).