4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide

C18H15Cl2N5O2 — CID 46270563

IUPAC4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(NC(=O)Cn2cnc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-11-2-7-14(8-15(11)20)22-16(26)9-25-10-21-18(24-25)23-17(27)12-3-5-13(19)6-4-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyVPTZCETYBUCUAI-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.78
Rot. Bonds5

About 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide

4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 46270563) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID46270563
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC Name4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(NC(=O)Cn2cnc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-11-2-7-14(8-15(11)20)22-16(26)9-25-10-21-18(24-25)23-17(27)12-3-5-13(19)6-4-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyVPTZCETYBUCUAI-UHFFFAOYSA-N
XLogP3.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827357
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
4-chloro-N-[(1R)-1-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 126366930
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 114256852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide (CID 46270563) is 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccc(NC(=O)Cn2cnc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl.
What is the InChIKey of 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is VPTZCETYBUCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c1-11-2-7-14(8-15(11)20)22-16(26)9-25-10-21-18(24-25)23-17(27)12-3-5-13(19)6-4-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 404.26 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 46270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).