N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C18H18N4O — CID 46394811

IUPACN-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H18N4O/c1-2-15-5-3-4-6-17(15)21-18(23)16-9-7-14(8-10-16)11-22-13-19-12-20-22/h3-10,12-13H,2,11H2,1H3,(H,21,23)
InChIKeyFUAMDWLLHBAPDC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.14
Rot. Bonds5

About N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46394811) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46394811
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H18N4O/c1-2-15-5-3-4-6-17(15)21-18(23)16-9-7-14(8-10-16)11-22-13-19-12-20-22/h3-10,12-13H,2,11H2,1H3,(H,21,23)
InChIKeyFUAMDWLLHBAPDC-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55765878
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24681947
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508382
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 87031870

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46394811) is N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is CCc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is FUAMDWLLHBAPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-15-5-3-4-6-17(15)21-18(23)16-9-7-14(8-10-16)11-22-13-19-12-20-22/h3-10,12-13H,2,11H2,1H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46394811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).