N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C18H18N4O — CID 46394819

IUPACN-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1C
InChIInChI=1S/C18H18N4O/c1-13-3-8-17(9-14(13)2)21-18(23)16-6-4-15(5-7-16)10-22-12-19-11-20-22/h3-9,11-12H,10H2,1-2H3,(H,21,23)
InChIKeyIDRYKMIQSLVOIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46394819) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46394819
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1C
InChIInChI=1S/C18H18N4O/c1-13-3-8-17(9-14(13)2)21-18(23)16-6-4-15(5-7-16)10-22-12-19-11-20-22/h3-9,11-12H,10H2,1-2H3,(H,21,23)
InChIKeyIDRYKMIQSLVOIR-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-N'-[1-(3-methylbenzyl)-1H-1,2,4-triazol-3-yl]urea
CID 2207551
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
N-[2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-4-[1,2,4]triazol-1-yl-benzamide
CID 25266935
N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 71460994
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2334526
N-[1-(4-isobutylbenzyl)-3-piperidyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 24792032
N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 54758312

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46394819) is N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is IDRYKMIQSLVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-3-8-17(9-14(13)2)21-18(23)16-6-4-15(5-7-16)10-22-12-19-11-20-22/h3-9,11-12H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46394819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).