N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C18H17N5O2 — CID 24603454

IUPACN-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-19-17(24)14-6-8-16(9-7-14)22-18(25)15-4-2-13(3-5-15)10-23-12-20-11-21-23/h2-9,11-12H,10H2,1H3,(H,19,24)(H,22,25)
InChIKeyYAWKOXBPBWARKY-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.94
Rot. Bonds5

About N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24603454) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24603454
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-19-17(24)14-6-8-16(9-7-14)22-18(25)15-4-2-13(3-5-15)10-23-12-20-11-21-23/h2-9,11-12H,10H2,1H3,(H,19,24)(H,22,25)
InChIKeyYAWKOXBPBWARKY-UHFFFAOYSA-N
XLogP1.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748
1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
CID 71706483
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 31005909
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24603454) is N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CNC(=O)c1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is YAWKOXBPBWARKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-19-17(24)14-6-8-16(9-7-14)22-18(25)15-4-2-13(3-5-15)10-23-12-20-11-21-23/h2-9,11-12H,10H2,1H3,(H,19,24)(H,22,25).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 335.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24603454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).