3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

C19H16F4N4O — CID 126754046

IUPAC3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2cnnc2)c1)C(F)(F)F
InChIInChI=1S/C19H16F4N4O/c1-18(2,19(21,22)23)26-17(28)14-7-13(12-3-5-15(20)6-4-12)8-16(9-14)27-10-24-25-11-27/h3-11H,1-2H3,(H,26,28)
InChIKeyDULFUMHOYBSJDT-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.14
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide

3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (PubChem CID 126754046) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
PubChem CID126754046
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2cnnc2)c1)C(F)(F)F
InChIInChI=1S/C19H16F4N4O/c1-18(2,19(21,22)23)26-17(28)14-7-13(12-3-5-15(20)6-4-12)8-16(9-14)27-10-24-25-11-27/h3-11H,1-2H3,(H,26,28)
InChIKeyDULFUMHOYBSJDT-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethenyl-[(Z)-hydrazinylidenemethyl]amino]-5-(4-fluorophenyl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide;molecular hydrogen
CID 145289079
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyanopropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640848
N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
CID 134439911
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640815
N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
CID 126572802
2-(4-chlorophenyl)-6-iodo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 134487315
3-(4-chlorophenyl)-N-(3,3-difluoro-2-methylbutan-2-yl)-5-methylbenzamide
CID 145257658
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881407
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
3-bromo-5-(5-tert-butyltetrazol-1-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide
CID 122651109

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide (CID 126754046) is 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is CC(C)(NC(=O)c1cc(-c2ccc(F)cc2)cc(-n2cnnc2)c1)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
The InChIKey is DULFUMHOYBSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c1-18(2,19(21,22)23)26-17(28)14-7-13(12-3-5-15(20)6-4-12)8-16(9-14)27-10-24-25-11-27/h3-11H,1-2H3,(H,26,28).
What are the key properties of 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide?
3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide has a molecular weight of 392.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1,2,4-triazol-4-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 126754046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).