N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H21N5O2 — CID 24681947

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(Cn3cncn3)cc2)c1C
InChIInChI=1S/C20H21N5O2/c1-14-4-3-5-18(15(14)2)24-19(26)10-22-20(27)17-8-6-16(7-9-17)11-25-13-21-12-23-25/h3-9,12-13H,10-11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBMFCOILNDBVKCT-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24681947) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24681947
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(Cn3cncn3)cc2)c1C
InChIInChI=1S/C20H21N5O2/c1-14-4-3-5-18(15(14)2)24-19(26)10-22-20(27)17-8-6-16(7-9-17)11-25-13-21-12-23-25/h3-9,12-13H,10-11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBMFCOILNDBVKCT-UHFFFAOYSA-N
XLogP2.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43040959
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24982239
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46394814
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 38768902
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55765878
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18277765

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24681947) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1cccc(NC(=O)CNC(=O)c2ccc(Cn3cncn3)cc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is BMFCOILNDBVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-4-3-5-18(15(14)2)24-19(26)10-22-20(27)17-8-6-16(7-9-17)11-25-13-21-12-23-25/h3-9,12-13H,10-11H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24681947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).