N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide

C19H19FN4O — CID 9246070

IUPACN-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)c3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C19H19FN4O/c1-19(2,3)13-10-8-12(9-11-13)16-21-18(24-23-16)22-17(25)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H2,21,22,23,24,25)
InChIKeyAXLHPMIFVWICSI-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.16
Rot. Bonds3

About N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide

N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide (PubChem CID 9246070) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
PubChem CID9246070
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)c3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C19H19FN4O/c1-19(2,3)13-10-8-12(9-11-13)16-21-18(24-23-16)22-17(25)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H2,21,22,23,24,25)
InChIKeyAXLHPMIFVWICSI-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]propanamide;hydrochloride
CID 119273805
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
CID 120559402
3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide
CID 119694330
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide
CID 174732439
N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 71864223
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
(3R,4S)-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919982
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide (CID 9246070) is N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide is CC(C)(C)c1ccc(-c2nc(NC(=O)c3ccccc3F)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The InChIKey is AXLHPMIFVWICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-19(2,3)13-10-8-12(9-11-13)16-21-18(24-23-16)22-17(25)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H2,21,22,23,24,25).
What are the key properties of N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide?
N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide has a molecular weight of 338.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 9246070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).