2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide

C18H16N6O3 — CID 21369499

IUPAC2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C18H16N6O3/c1-12(25)21-16-8-3-2-7-15(16)18(27)22-14-6-4-5-13(9-14)17(26)23-24-10-19-20-11-24/h2-11H,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyCKWMPKYBKHHKCW-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.87
Rot. Bonds5

About 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide

2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide (PubChem CID 21369499) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
PubChem CID21369499
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C18H16N6O3/c1-12(25)21-16-8-3-2-7-15(16)18(27)22-14-6-4-5-13(9-14)17(26)23-24-10-19-20-11-24/h2-11H,1H3,(H,21,25)(H,22,27)(H,23,26)
InChIKeyCKWMPKYBKHHKCW-UHFFFAOYSA-N
XLogP1.87
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 21369517
5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 21369531
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369565
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide (CID 21369499) is 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide is CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nn2cnnc2)c1.
What is the InChIKey of 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
The InChIKey is CKWMPKYBKHHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-12(25)21-16-8-3-2-7-15(16)18(27)22-14-6-4-5-13(9-14)17(26)23-24-10-19-20-11-24/h2-11H,1H3,(H,21,25)(H,22,27)(H,23,26).
What are the key properties of 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide?
2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 21369499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).